Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 13/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.42 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7614307 | 0.82 | ALDH1A1 (0.48) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL9577266 | 0.82 | CYP3A4 (0.48) | ALDH1A1TSHRTDP1 | |
| SCHEMBL4186655 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL31738417 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL14242951 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL2439167 | 0.80 | CYP19A1 (0.45) | ALDH1A1TSHR | |
| SCHEMBL7133759 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL7616411 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL1186123 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL14243153 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KDM4ETSHRTDP1ERN1 |
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 |