Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6978924 | 0.87 | KDM4E (0.47) | CYP3A4CYP2D6ALOX15TSHRCYP2C19 | |
| SCHEMBL18756918 | 0.81 | CHRM2 (0.61) | CYP3A4CYP2D6TSHRCYP2C19USP2 | |
| SCHEMBL7811621 | 0.81 | CYP3A4 (0.58) | CYP3A4CYP2D6ALOX15TSHRCYP2C19 | |
| SCHEMBL18757063 | 0.79 | ALDH1A1 (0.43) | CYP3A4CYP2D6MAPK1MAPTALDH1A1 | |
| SCHEMBL12526402 | 0.78 | KMT2A (0.66) | CYP3A4CYP2D6TSHRCYP2C19USP2 | |
| SCHEMBL14992762 | 0.78 | ALDH1A1 (0.52) | CYP3A4CYP2D6CYP2C9MAPTALDH1A1 | |
| SCHEMBL2031016 | 0.74 | CYP2D6 (0.49) | CYP3A4CYP2D6ALOX15TSHRCYP2C19 | |
| SCHEMBL6983966 | 0.73 | MEN1 (0.58) | CYP3A4CYP2D6ALOX15CYP2C19USP2 | |
| SCHEMBL28810057 | 0.73 | KMT2A (0.48) | CYP3A4CYP2D6CYP2C9ALDH1A1OPRM1 | |
| SCHEMBL15000993 | 0.72 | GPR119 (0.64) | MAPK1MAPTALDH1A1 |
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-0962457-B1 | Piperidones as tachykinin antagonists | PFIZER LTD (GB) | 2003-08-06 | — | — | EP | disclosed |
| EP-0992493-A1 | Substituted benzoylpiperidine derivatives and their use as Neurokinin antagonists | PFIZER INC. (US) | 2000-04-12 | — | — | EP | disclosed |
| EP-0962457-A1 | Piperidones as tachykinin antagonists | Pfizer Limited (GB) | 1999-12-08 | — | — | EP | disclosed |