Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | EDNRB | P24530 | 10/20 | 0.40 |
| ▸ | EDNRA | P25101 | 10/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7359080 | 1.00 | CYP2C9 (0.42) | CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19 | |
| SCHEMBL7229480 | 0.88 | TACR1 (0.45) | CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19 | |
| SCHEMBL7437288 | 0.82 | EDNRB (0.49) | EDNRBEDNRATP53 | |
| SCHEMBL7361274 | 0.82 | EDNRB (0.49) | EDNRBEDNRATP53 | |
| SCHEMBL7365507 | 0.82 | TPH1 (0.47) | CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19 | |
| SCHEMBL7360008 | 0.82 | TPH1 (0.47) | CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19 | |
| SCHEMBL7445181 | 0.82 | TPH1 (0.47) | CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19 | |
| SCHEMBL22240360 | 0.77 | EPHX2 (0.52) | CYP2C9CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL8246144 | 0.76 | BACE1 (0.53) | KMT2A | |
| SCHEMBL973730 | 0.76 | BACE1 (0.53) | KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997011960-A1 | ANTAGONISTS OF ENDOTHELIN RECEPTORS | JAPAT LTD. (CH) | 1997-04-03 | — | — | WO | disclosed |