Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | APEX1 | P27695 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8558744 | 0.79 | LMNA (0.44) | ALDH1A1GAACA12CA1CA2 | |
| SCHEMBL9447336 | 0.78 | TSHR (0.46) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL20782023 | 0.78 | APP (0.47) | ALDH1A1GAAHSD17B10APEX1LMNA | |
| Acetonitrile SCHEMBL8561616 | 0.77 | LMNA (0.42) | ALDH1A1GAACA12CA1CA2 | |
| SCHEMBL6801469 | 0.77 | AOC3 (0.41) | ALDH1A1GAACA12CA1CA2 | |
| SCHEMBL2815949 | 0.76 | MAPT (0.47) | ALDH1A1MAPK1MAPTCYP1A2CYP3A4 | |
| SCHEMBL3045851 | 0.76 | CYP2A6 (0.33) | ALDH1A1CA1CA2CA9HSD17B10 | |
| SCHEMBL3436081 | 0.75 | NPC1 (0.60) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL1506598 | 0.75 | CA1 (0.50) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL4673742 | 0.75 | TAAR1 (0.52) | ALDH1A1ALOX15MAPK1MAPTCYP3A4 |
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 |