Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CFTR | P13569 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7135463 | 0.90 | TACR1 (0.51) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| SCHEMBL7133654 | 0.90 | TACR1 (0.60) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| SCHEMBL7137909 | 0.90 | TACR1 (0.51) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| SCHEMBL7867202 | 0.90 | TACR1 (0.60) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| SCHEMBL8708427 | 0.90 | TACR1 (0.51) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| SCHEMBL7867174 | 0.87 | TACR1 (0.47) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| SCHEMBL7139592 | 0.87 | TACR1 (0.47) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| SCHEMBL7591379 | 0.87 | TACR1 (0.49) | TACR1CYP2D6CFTR | |
| SCHEMBL7587166 | 0.87 | TACR1 (0.46) | TACR1CYP2D6CFTR | |
| SCHEMBL7594455 | 0.86 | TACR1 (0.50) | TACR1CYP2D6CFTR |
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 |