Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FABP3 | P05413 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6771169 | 0.87 | CCNA2 (0.40) | MDM2MCL1BCL2TP53MAPT | |
| SCHEMBL6770744 | 0.86 | CYP2C9 (0.38) | MDM2MCL1BCL2TP53MAPT | |
| SCHEMBL6770531 | 0.82 | MEN1 (0.40) | MAPTLMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6770689 | 0.80 | IDH1 (0.30) | LMNACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL6767123 | 0.80 | MAPT (0.32) | MAPTOPRM1 | |
| SCHEMBL6777360 | 0.78 | OPRM1 (0.39) | MAPTLMNAMEN1KMT2AHTT | |
| SCHEMBL6777607 | 0.78 | MEN1 (0.32) | LMNACYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6777603 | 0.78 | MEN1 (0.32) | LMNACYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6766535 | 0.77 | DHODH (0.36) | MAPTLMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6769818 | 0.77 | OPRM1 (0.34) | MDM2MAPTLMNACYP1A2CYP2C9 |
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 |