Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.61 |
| ▸ | FADS1 | O60427 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636039 | 0.83 | KEAP1 (0.54) | KEAP1FADS1CES2CES1ALDH1A1 | |
| SCHEMBL9376769 | 0.81 | KEAP1 (0.61) | KEAP1FADS1CES2CES1ALDH1A1 | |
| SCHEMBL9042482 | 0.81 | KEAP1 (0.61) | KEAP1FADS1CES2CES1ALDH1A1 | |
| SCHEMBL30000930 | 0.81 | KEAP1 (0.61) | KEAP1FADS1CES2CES1ALDH1A1 | |
| SCHEMBL29798926 | 0.81 | CES2 (0.61) | KEAP1CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL3094911 | 0.81 | CES2 (0.61) | KEAP1CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL11219888 | 0.81 | THRB (0.57) | KEAP1ALDH1A1MAPK1HIF1ANOS2 | |
| SCHEMBL6818999 | 0.79 | MAOB (0.45) | CES2CES1ALDH1A1MAPK1HIF1A | |
| SCHEMBL2450666 | 0.79 | ALDH1A1 (0.61) | FADS1ALDH1A1MAPK1HIF1ASMN1; SMN2 | |
| SCHEMBL4624113 | 0.79 | ALDH1A1 (0.43) | ALDH1A1MAPK1HIF1AHTTNOS2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006034491-A2 | PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-03-30 | — | — | WO | disclosed |
| WO-2006034512-A2 | PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-03-30 | — | — | WO | disclosed |
| EP-1509213-A2 | ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION | Abbott Laboratories (US) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003099266-A2 | ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION | ABBOTT LABORATORIES (US) | 2003-12-04 | — | — | WO | disclosed |
| EP-0663899-B1 | SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS | UNIV MARYLAND (US) | 1999-06-30 | — | — | EP | disclosed |
| EP-0919538-A1 | Substituted kynurenines, a process for their preparation, and use as medicaments | THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1999-06-02 | — | — | EP | disclosed |
| US-5786508-A | ENZYME INHIBITOR; COGNITION ACTIVATOR | PHARMACIA & UPJOHN S.P.A. (IT) | 1998-07-28 | — | — | US | disclosed |
| US-5708030-A | COGNITION ACTIVATORS, PERINATAL BRAIN DISORDERS | UNIVERSITY OF MARYLAND (US) | 1998-01-13 | — | — | US | disclosed |
| US-5519055-A | ENZYME INHIBITORS | UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1996-05-21 | — | — | US | disclosed |
| EP-0663899-A4 | SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS. | UNIV MARYLAND (US) | 1996-01-17 | — | — | EP | disclosed |
| EP-0663899-A1 | SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS | THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1995-07-26 | — | — | EP | disclosed |
| WO-1995004714-A1 | SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS | UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1995-02-16 | — | — | WO | disclosed |
| EP-0353778-B1 | Pyrrolo[1,4]benzodiazepine derivatives | SHIONOGI & CO (JP) | 1994-11-02 | — | — | EP | disclosed |
| US-4923984-A | TREATMENT OF SENILE DEMENTIA, PSYCHONEUROSIS, AMNESIA | SHIONOGI & CO., LTD. (JP) | 1990-05-08 | — | — | US | disclosed |
| EP-0353778-A2 | Pyrrolo[1,4]benzodiazepine derivatives | SHIONOGI & CO., LTD. (JP) | 1990-02-07 | — | — | EP | disclosed |
| US-4017631-A | MICROBIOCIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-04-12 | — | — | US | disclosed |
| US-3991202-A | ANTIMICROBIALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1976-11-09 | — | — | US | disclosed |