Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7001340 | 0.87 | SMN1; SMN2 (0.49) | CYP1A2CYP2D6CYP3A4KDM4ERECQL | |
| SCHEMBL7002893 | 0.84 | CYP1A2 (0.73) | CYP1A2CYP2D6CYP3A4KDM4ETSHR | |
| SCHEMBL14694031 | 0.79 | TSHR (0.56) | CYP1A2KDM4ETSHRRECQLHPGD | |
| Mefexamide SCHEMBL126334 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP3A4KDM4EPTPN1 | |
| SCHEMBL6293325 | 0.77 | KMT2A (0.45) | RECQLHPGDKMT2ANPC1MEN1 | |
| Clofexamide SCHEMBL1604514 | 0.76 | CYP1A2 (0.78) | CYP1A2CYP2D6CYP3A4KDM4ECYP2C9 | |
| Mefexamide SCHEMBL364170 | 0.76 | CYP3A4 (1.00) | CYP1A2CYP2D6CYP3A4KDM4EPTPN1 | |
| SCHEMBL14694132 | 0.76 | KMT2A (0.48) | CYP1A2HPGDCYP2C9CYP2C19KMT2A | |
| Mefexamide SCHEMBL1650022 | 0.75 | CYP1A2 (0.95) | CYP1A2CYP2D6CYP3A4KDM4EPTPN1 | |
| Clofexamide SCHEMBL365077 | 0.75 | CYP3A4 (0.78) | CYP1A2CYP2D6CYP3A4KDM4ECYP2C9 |
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 4 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 |
| 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 |
| CN-1335836-A | Tricyclic pyrazole derivatives | BASF AG (DE) | 2002-02-13 | — | — | CN | disclosed |