Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.58 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | GPR84 | Q9NQS5 | 9/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.48 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6757965 | 0.86 | RAB9A (0.45) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL16198322 | 0.83 | BCHE (0.51) | NPC1RAB9ASMN1; SMN2ARHPGD | |
| SCHEMBL22468988 | 0.82 | CYP2E1 (0.81) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL14304934 | 0.81 | RAB9A (0.63) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9729274 | 0.80 | NPC1 (0.88) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL21639229 | 0.80 | NPC1 (0.88) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL11535096 | 0.80 | NPC1 (0.88) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9744385 | 0.80 | AR (0.52) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9878132 | 0.79 | KMT2A (0.44) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9877626 | 0.79 | RAB9A (0.39) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106863-A | Antiulcer agents, gastrointestinal disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-04-21 | — | — | US | claimed |
| US-5106863-A | Antiulcer agents, gastrointestinal disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-04-21 | — | — | US | disclosed |