Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6219355 | 1.00 | RAB9A (0.50) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6265628 | 0.94 | RAB9A (0.52) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6220378 | 0.93 | KMT2A (0.53) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6218817 | 0.90 | RAB9A (0.47) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5847699 | 0.90 | RAB9A (0.47) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5847401 | 0.89 | KMT2A (0.56) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5847407 | 0.89 | KMT2A (0.56) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20379877 | 0.86 | NPC1 (0.50) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3144643 | 0.81 | RAB9A (0.50) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8249411 | 0.81 | RAB9A (0.50) | RAB9ANPC1CYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004058761-A1 | PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | disclosed |