Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 7/20 | 0.48 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL13272121 | 0.87 | MT-CO2 (0.44) | ERN1MT-CO2PTGS2PTGS1ALDH1A1 | |
| SCHEMBL31409463 | 0.82 | CYP2C19 (0.54) | MT-CO2PTGS2PTGS1ALDH1A1L3MBTL1 | |
| SCHEMBL31409467 | 0.82 | CYP2C19 (0.54) | MT-CO2PTGS2PTGS1ALDH1A1L3MBTL1 | |
| SCHEMBL5022505 | 0.82 | CYP2C19 (0.54) | MT-CO2PTGS2PTGS1ALDH1A1L3MBTL1 | |
| SCHEMBL31083332 | 0.82 | CYP2C19 (0.54) | MT-CO2PTGS2PTGS1ALDH1A1L3MBTL1 | |
| SCHEMBL31063006 | 0.80 | ERN1 (0.55) | ERN1ALDH1A1TDP1KDM4ETSHR | |
| SCHEMBL985519 | 0.80 | ERN1 (0.55) | ERN1ALDH1A1TDP1KDM4ETSHR | |
| SCHEMBL2846109 | 0.80 | TYR (0.63) | ERN1MT-CO2PTGS2PTGS1TDP1 | |
| SCHEMBL2063899 | 0.79 | MT-CO2 (0.48) | MT-CO2PTGS2PTGS1TSHR | |
| SCHEMBL2064162 | 0.79 | MT-CO2 (0.48) | ERN1MT-CO2PTGS2PTGS1TDP1 |
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 |