Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | FABP1 | P07148 | 1/20 | 0.42 |
| ▸ | FABP6 | P51161 | 1/20 | 0.42 |
| ▸ | KHK | P50053 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5879501 | 0.91 | CYP1A2 (0.45) | CYP1A2CYP2C19KDM1AMAOAMAOB | |
| SCHEMBL5798269 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP2C19KDM1AMAOAMAOB | |
| SCHEMBL4720018 | 0.84 | HRH4 (0.51) | CYP1A2KDM1AMAOAMAOBBRD4 | |
| SCHEMBL27683045 | 0.76 | KDM1A (0.55) | KDM1AMAOAMAOBBRD4KHK | |
| SCHEMBL3265804 | 0.74 | CYP1A2 (0.70) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL11815953 | 0.73 | ITGB3 (0.61) | KDM4E | |
| SCHEMBL28159880 | 0.73 | SLC6A4 (0.47) | GBA1 | |
| SCHEMBL27446049 | 0.73 | L3MBTL1 (0.62) | CYP1A2CYP2C19KDM4E | |
| SCHEMBL1088572 | 0.72 | HRH3 (0.55) | CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL7093141 | 0.72 | BRD4 (0.43) | KDM1AMAOAMAOBBRD4KHK |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |
| CN-1374960-A | novel integrin receptor antagonists | BASF AG (DE) | 2002-10-16 | — | — | CN | disclosed |
| EP-1202988-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001010847-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-15 | — | — | WO | disclosed |
| US-3992388-A | INTERMEDIATE FOR SULFAMYLUREA HYPOGLYCEMIC AGENTS | PFIZER INC. (US) | 1976-11-16 | — | — | US | disclosed |
| US-3992388-A | INTERMEDIATE FOR SULFAMYLUREA HYPOGLYCEMIC AGENTS | PFIZER INC. (US) | 1976-11-16 | — | — | US | disclosed |
| US-3992388-A | INTERMEDIATE FOR SULFAMYLUREA HYPOGLYCEMIC AGENTS | PFIZER INC. (US) | 1976-11-16 | — | — | US | disclosed |
| US-3933830-A | FROM 4-(2-PYRIDYLAMIDOETHYL) PYRIDINES REDUCED WITH HYDROGEN AND A NOBLE METAL CATALYST | PFIZER INC. (US) | 1976-01-20 | — | — | US | disclosed |
| US-3933830-A | FROM 4-(2-PYRIDYLAMIDOETHYL) PYRIDINES REDUCED WITH HYDROGEN AND A NOBLE METAL CATALYST | PFIZER INC. (US) | 1976-01-20 | — | — | US | disclosed |
| US-3933830-A | FROM 4-(2-PYRIDYLAMIDOETHYL) PYRIDINES REDUCED WITH HYDROGEN AND A NOBLE METAL CATALYST | PFIZER INC. (US) | 1976-01-20 | — | — | US | disclosed |