Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CASP2 | P42575 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7001422 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP3A4ALDH1A1RECQL | |
| Mefexamide SCHEMBL126334 | 0.84 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP3A4ALDH1A1KDM4E | |
| SCHEMBL7701481 | 0.84 | CYP1A2 (0.63) | CYP1A2CYP2D6CYP3A4ALDH1A1TSHR | |
| SCHEMBL6611709 | 0.84 | TSHR (0.52) | CYP1A2CYP2D6CYP3A4ALDH1A1TSHR | |
| Clofexamide SCHEMBL1604514 | 0.83 | CYP1A2 (0.78) | CYP1A2CYP2D6CYP3A4ALDH1A1KDM4E | |
| Mefexamide SCHEMBL364170 | 0.83 | CYP3A4 (1.00) | CYP1A2CYP2D6CYP3A4ALDH1A1KDM4E | |
| Mefexamide SCHEMBL1650022 | 0.82 | CYP1A2 (0.95) | CYP1A2CYP2D6CYP3A4ALDH1A1KDM4E | |
| Clofexamide SCHEMBL365077 | 0.82 | CYP3A4 (0.78) | CYP1A2CYP2D6CYP3A4ALDH1A1KDM4E | |
| SCHEMBL692842 | 0.81 | SMN1; SMN2 (0.62) | CYP1A2CYP2D6CYP3A4ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL11539142 | 0.79 | CYP3A4 (0.73) | CYP1A2CYP2D6CYP3A4KDM4EKMT2A |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1335836-A | Tricyclic pyrazole derivatives | BASF AG (DE) | 2002-02-13 | — | — | CN | claimed |
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | claimed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | claimed |
| EP-1165544-B1 | SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE | KNOLL GMBH (DE) | 2003-08-06 | — | — | EP | disclosed |
| EP-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| US-6462036-B1 | INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| CN-1368970-A | Substituted 1,4-dihydroindeno [1,2-C] pyrazoles as inhibitors of tyrosine kinase | KNOLL GMBH (DE) | 2002-09-11 | — | — | CN | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| CN-1335836-A | Tricyclic pyrazole derivatives | BASF AG (DE) | 2002-02-13 | — | — | CN | disclosed |
| EP-1165544-A1 | SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-02 | — | — | EP | disclosed |
| US-6297238-B1 | 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000059901-A1 | SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE | KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |