Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT1 | P17948 | 9/20 | 0.93 |
| ▸ | CSF1R | P07333 | 7/20 | 0.93 |
| ▸ | KIT | P10721 | 7/20 | 0.93 |
| ▸ | LCK | P06239 | 7/20 | 0.93 |
| ▸ | FGFR1 | P11362 | 6/20 | 0.93 |
| ▸ | FLT3 | P36888 | 6/20 | 0.93 |
| ▸ | AURKA | O14965 | 6/20 | 0.93 |
| ▸ | FGFR3 | P22607 | 5/20 | 0.93 |
| ▸ | GSK3B | P49841 | 5/20 | 0.93 |
| ▸ | PLK4 | O00444 | 5/20 | 0.93 |
| ▸ | ABL1 | P00519 | 5/20 | 0.93 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.93 |
| ▸ | FYN | P06241 | 5/20 | 0.93 |
| ▸ | LYN | P07948 | 5/20 | 0.93 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.93 |
| ▸ | MARK3 | P27448 | 5/20 | 0.93 |
| ▸ | BLK | P51451 | 5/20 | 0.93 |
| ▸ | RPS6KA3 | P51812 | 5/20 | 0.93 |
| ▸ | NEK2 | P51955 | 5/20 | 0.93 |
| ▸ | LIMK1 | P53667 | 5/20 | 0.93 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30055372 | 0.97 | KIT (1.00) | FLT1CSF1RKITLCKFGFR1 | |
| SCHEMBL546436 | 0.97 | KIT (1.00) | FLT1CSF1RKITLCKFGFR1 | |
| Hydrochloric Acid SCHEMBL4301600 | 0.96 | KIT (0.98) | FLT1CSF1RKITLCKFGFR1 | |
| Bromide SCHEMBL5436521 | 0.96 | KIT (0.98) | FLT1CSF1RKITLCKFGFR1 | |
| SCHEMBL3567468 | 0.88 | KIT (0.83) | FLT1CSF1RKITLCKFGFR1 | |
| SCHEMBL4473254 | 0.88 | KIT (0.83) | FLT1CSF1RKITLCKFGFR1 | |
| SCHEMBL4487735 | 0.87 | KIT (0.82) | FLT1CSF1RKITLCKFGFR1 | |
| SCHEMBL4486498 | 0.87 | KIT (0.82) | FLT1CSF1RKITLCKFGFR1 | |
| SCHEMBL4478648 | 0.85 | FLT1 (0.79) | FLT1CSF1RKITLCKFGFR1 | |
| SCHEMBL4473182 | 0.85 | KIT (0.76) | FLT1CSF1RKITLCKFGFR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7745448-B2 | Crystalline N-(4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea ethanolate | ABBOTT LABORATORIES INC. (US) | 2010-06-29 | — | — | US | claimed |
| US-20070155758-A1 | Crystalline N-(4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl)-N'-(2-fluoro-5-(trifluoromethyl)phenyl)urea ethanolate | ABBVIE INC. | 2007-07-05 | — | — | US | claimed |
| US-7745448-B2 | Crystalline N-(4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea ethanolate | ABBOTT LABORATORIES INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-7745448-B2 | Crystalline N-(4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea ethanolate | ABBOTT LABORATORIES INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-7745448-B2 | Crystalline N-(4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea ethanolate | ABBOTT LABORATORIES INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-20070155758-A1 | Crystalline N-(4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl)-N'-(2-fluoro-5-(trifluoromethyl)phenyl)urea ethanolate | ABBVIE INC. | 2007-07-05 | — | — | US | disclosed |
| US-20070155758-A1 | Crystalline N-(4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl)-N'-(2-fluoro-5-(trifluoromethyl)phenyl)urea ethanolate | ABBVIE INC. | 2007-07-05 | — | — | US | disclosed |
| US-20070155758-A1 | Crystalline N-(4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl)-N'-(2-fluoro-5-(trifluoromethyl)phenyl)urea ethanolate | ABBVIE INC. | 2007-07-05 | — | — | US | disclosed |