Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7592042 | 0.99 | TACR1 (0.67) | TACR1CYP2D6KCNH2 | |
| SCHEMBL7168774 | 0.90 | TACR1 (0.81) | TACR1CYP2D6KCNH2 | |
| SCHEMBL9295011 | 0.90 | TACR1 (0.80) | TACR1CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL7591196 | 0.89 | TACR1 (0.79) | TACR1CYP2D6KCNH2 | |
| SCHEMBL7584046 | 0.84 | TACR1 (0.82) | TACR1CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL7588537 | 0.83 | TACR1 (0.81) | TACR1CYP2D6KCNH2 | |
| SCHEMBL31401661 | 0.82 | TACR1 (0.77) | TACR1CYP2D6 | |
| SCHEMBL22272194 | 0.82 | TACR1 (0.77) | TACR1CYP2D6 | |
| SCHEMBL9295001 | 0.82 | TACR1 (0.77) | TACR1CYP2D6KCNH2 | |
| SCHEMBL6701914 | 0.82 | TACR1 (0.79) | TACR1CYP2D6KCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0780375-B1 | 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists | PFIZER (US) | 2002-09-11 | — | — | EP | claimed |
| EP-0780375-A1 | 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists | PFIZER INC. (US) | 1997-06-25 | — | — | EP | claimed |
| EP-0780375-B1 | 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists | PFIZER (US) | 2002-09-11 | — | — | EP | disclosed |
| US-5789423-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS | PFIZER INC. (US) | 1998-08-04 | — | — | US | disclosed |
| EP-0780375-A1 | 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists | PFIZER INC. (US) | 1997-06-25 | — | — | EP | disclosed |