Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 5/20 | 0.38 |
| ▸ | EDNRA | P25101 | 5/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360008 | 1.00 | TPH1 (0.47) | TPH1CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL7445181 | 1.00 | TPH1 (0.47) | TPH1CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL7229480 | 0.83 | TACR1 (0.45) | CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19 | |
| SCHEMBL7359080 | 0.82 | CYP2C9 (0.42) | CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19 | |
| SCHEMBL7359075 | 0.82 | CYP2C9 (0.42) | CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19 | |
| SCHEMBL8493221 | 0.82 | TPH1 (0.54) | TPH1CYP1A2CYP3A4NOTUM | |
| SCHEMBL8493223 | 0.82 | TPH1 (0.54) | TPH1CYP1A2CYP3A4NOTUM | |
| Hydrochloric Acid SCHEMBL7221981 | 0.81 | TPH1 (0.55) | TPH1 | |
| SCHEMBL7960935 | 0.80 | SLC7A5 (0.48) | TPH1 | |
| SCHEMBL7224977 | 0.78 | DPP4 (0.49) | TPH1CYP2C9CYP1A2CYP2C19KMT2A |
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 |