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We recently described a new computational approach (ProCare), inspired by numerical image processing, to identify local similarities in fragment-based subpockets. During the validation of the method, we unexpectedly identified a possible similarity in the binding pockets of two unrelated targets, human tumor necrosis factor alpha (TNF-\u03b1) and HIV-1 reverse transcriptase (HIV-1 RT). Microscale thermophoresis experiments confirmed the ProCare prediction as two of the three tested and FDA-approved HIV-1 RT inhibitors indeed bind to soluble human TNF-\u03b1 trimer. Interestingly, the herein disclosed similarity could be revealed neither by state-of-the-art binding sites comparison methods nor by ligand-based pairwise similarity searches, suggesting that the point cloud registration approach implemented in ProCare, is uniquely suited to identify local and unobvious similarities among totally unrelated targets.<\/jats:p>","DOI":"10.1186\/s13321-021-00567-3","type":"journal-article","created":{"date-parts":[[2021,11,23]],"date-time":"2021-11-23T05:03:10Z","timestamp":1637643790000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer vision"],"prefix":"10.1186","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0976-0239","authenticated-orcid":false,"given":"Merveille","family":"Eguida","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0577-641X","authenticated-orcid":false,"given":"Didier","family":"Rognan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2021,11,23]]},"reference":[{"key":"567_CR1","doi-asserted-by":"publisher","first-page":"334","DOI":"10.1124\/pr.112.007336","volume":"66","author":"G Sliwoski","year":"2014","unstructured":"Sliwoski G, Kothiwale S, Meiler J, Lowe EW (2014) Computational methods in drug discovery. 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