Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7588557 | 0.92 | TACR1 (0.49) | TACR1CYP2D6HCRTR2CFTR | |
| SCHEMBL7864432 | 0.88 | TACR1 (0.58) | TACR1CYP2D6 | |
| SCHEMBL7586298 | 0.86 | TACR1 (0.47) | TACR1CYP2D6HCRTR2CFTR | |
| SCHEMBL6604763 | 0.86 | TACR1 (0.65) | TACR1HCRTR2 | |
| SCHEMBL7032818 | 0.86 | TACR1 (0.65) | TACR1HCRTR2 | |
| SCHEMBL7591379 | 0.85 | TACR1 (0.49) | TACR1CYP2D6HCRTR2CFTR | |
| SCHEMBL7587166 | 0.85 | TACR1 (0.46) | TACR1CYP2D6HCRTR2CFTR | |
| SCHEMBL7586407 | 0.85 | TACR1 (0.48) | TACR1CYP2D6CFTR | |
| SCHEMBL7594455 | 0.84 | TACR1 (0.50) | TACR1CYP2D6HCRTR2CFTR | |
| SCHEMBL7594451 | 0.84 | TACR1 (0.50) | TACR1CYP2D6HCRTR2CFTR |
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-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 |