Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7091733 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7183478 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C19CYP2C9RAB9A | |
| SCHEMBL7178760 | 0.88 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL6426461 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL2736273 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7301480 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7179423 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL18531996 | 0.83 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL2736207 | 0.83 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7301247 | 0.83 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1711617-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005064008-A9 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2006-09-28 | — | — | WO | disclosed |
| WO-2005064008-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-07-14 | — | — | WO | disclosed |