Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6770787 | 0.86 | MDM2 (0.38) | CYP2C9CYP2C19CYP1A2CYP2D6NPBWR1 | |
| SCHEMBL6770449 | 0.86 | CCNA2 (0.41) | CYP2C9CYP2C19CYP1A2CYP2D6NPBWR1 | |
| SCHEMBL6770689 | 0.86 | IDH1 (0.30) | CYP2C9CYP2C19CYP1A2LMNAMEN1 | |
| SCHEMBL6770531 | 0.85 | MEN1 (0.40) | CYP2C9CYP2C19CYP1A2CYP2D6LMNA | |
| SCHEMBL6767123 | 0.82 | MAPT (0.32) | OPRM1MAPT | |
| SCHEMBL6777603 | 0.80 | MEN1 (0.32) | CYP2C9CYP2C19CYP1A2CYP2D6LMNA | |
| SCHEMBL6777607 | 0.80 | MEN1 (0.32) | CYP2C9CYP2C19CYP1A2CYP2D6LMNA | |
| SCHEMBL6766535 | 0.79 | DHODH (0.36) | CYP2C9CYP2C19CYP1A2CYP2D6LMNA | |
| SCHEMBL6771211 | 0.78 | MEN1 (0.34) | CYP2C9CYP2C19CYP1A2LMNAMEN1 | |
| SCHEMBL6770141 | 0.78 | PTGS1 (0.41) | CYP2C9CYP2C19CYP1A2NPBWR1MCHR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |