Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | VEGFA | P15692 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.30 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7587116 | 0.84 | ALDH1A1 (0.44) | ERN1DHODHL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL8327036 | 0.77 | CYP1A2 (0.40) | MAPTCYP1A2CYP2C9CYP2C19ERN1 | |
| SCHEMBL13755069 | 0.77 | MAPT (0.38) | MAPTCYP1A2CYP2C9CYP2C19ERN1 | |
| SCHEMBL307932 | 0.73 | ALDH1A1 (0.39) | SCN10ACYP1A2CYP2C9CYP2C19ERN1 | |
| SCHEMBL28340475 | 0.73 | MAPT (0.39) | MAPTCYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL7591958 | 0.73 | ALDH1A1 (0.46) | ERN1L3MBTL1KDM4EALDH1A1TSHR | |
| SCHEMBL6098469 | 0.72 | ERN1 (0.45) | SCN10AMAPTERN1XDHKDM4E | |
| SCHEMBL6930848 | 0.72 | ALDH1A3 (0.53) | MAPTCYP1A2CYP2C9CYP2C19ERN1 | |
| SCHEMBL5651250 | 0.71 | TYR (0.45) | SCN10AMAPTERN1ALDH1A1TDP1 | |
| SCHEMBL7591252 | 0.70 | ALDH1A1 (0.44) | MAPTCYP1A2CYP2C9CYP2C19ERN1 |
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 |