Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9322004 | 1.00 | TACR1 (0.40) | TACR1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL9322000 | 1.00 | TACR1 (0.40) | TACR1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL9321994 | 1.00 | TACR1 (0.40) | TACR1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL9325275 | 0.87 | TACR1 (0.43) | TACR1NPC1MTORRAB9A | |
| SCHEMBL9325272 | 0.87 | TACR1 (0.43) | TACR1NPC1MTORRAB9A | |
| SCHEMBL9325280 | 0.87 | TACR1 (0.43) | TACR1NPC1MTORRAB9A | |
| SCHEMBL9325286 | 0.87 | TACR1 (0.43) | TACR1NPC1MTORRAB9A | |
| SCHEMBL9325219 | 0.80 | TACR1 (0.52) | TACR1 | |
| SCHEMBL9322749 | 0.80 | TACR1 (0.52) | TACR1 | |
| SCHEMBL9324119 | 0.80 | TACR1 (0.52) | TACR1 |
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-0409931-B1 | QUINUCLIDINE THERAPEUTIC AGENTS | PFIZER (US) | 1994-02-16 | — | — | EP | disclosed |
| US-5162339-A | Substance P Antagonists, Gastrointestinal and Central Nervous System Disorders, Antiinflammatory Agents, Analgesics | PFIZER INC. (US) | 1992-11-10 | — | — | US | disclosed |
| WO-1990005525-A1 | QUINUCLIDINE DERIVATIVES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1990-05-31 | — | — | WO | disclosed |