Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8862128 | 1.00 | CYP3A4 (0.33) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL9311733 | 0.98 | CYP3A4 (0.32) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL7036817 | 0.81 | CYP3A4 (0.35) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL13192505 | 0.81 | CYP3A4 (0.35) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL18215137 | 0.81 | CYP3A4 (0.35) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL12048062 | 0.79 | CYP3A4 (0.36) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL16878895 | 0.77 | CYP3A4 (0.35) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL2481872 | 0.77 | CYP3A4 (0.35) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL2480164 | 0.77 | CYP3A4 (0.35) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL13295612 | 0.77 | CYP3A4 (0.35) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5656636-A | TREATING PSORIASIS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-08-12 | — | — | US | disclosed |
| US-5633258-A | Pyridine compounds for treating leukotriene-related diseases | SMITHKLINE BEECHAM CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |
| US-5631262-A | Pyridine compounds for treating leukotriene-related diseases | SMITHKLINE BEECHAM CORPORATION (US) | 1997-05-20 | — | — | US | disclosed |
| WO-1994014797-A1 | QUINOLINE COMPOUNDS AND THE TREATMENT OF LEUCOTRIENE RELATED DISEASES THEREWITH | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |