Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE8B | O95263 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TPH1 | P17752 | 16/20 | 0.39 |
| ▸ | TPH2 | Q8IWU9 | 16/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2433651 | 0.76 | KDM4E (0.49) | PDE8BCYP19A1TPH1TPH2GHSR | |
| SCHEMBL3459088 | 0.76 | CYP19A1 (0.49) | PDE8BCYP19A1TPH1TPH2TP53 | |
| Bromide SCHEMBL10970945 | 0.74 | CYP19A1 (0.47) | PDE8BCYP19A1TPH1TPH2TP53 | |
| SCHEMBL12984857 | 0.73 | TPH1 (0.51) | CYP19A1TPH1TPH2GHSRMAPT | |
| SCHEMBL12617259 | 0.68 | CYP19A1 (0.43) | PDE8BCYP19A1TPH1TPH2 | |
| SCHEMBL2386978 | 0.68 | SMN1; SMN2 (0.53) | TP53 | |
| SCHEMBL17863729 | 0.67 | CYP19A1 (0.45) | PDE8BCYP19A1TPH1TPH2GHSR | |
| SCHEMBL23530839 | 0.66 | ALOX15 (0.62) | TP53MAPT | |
| SCHEMBL11030523 | 0.64 | TP53 (0.59) | CYP19A1TP53MAPT | |
| SCHEMBL23530863 | 0.64 | NPC1 (0.50) | TP53MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006065755-A2 | QUATERNARY AMMONIUM SALTS OF FUSED HETEAROMATIC AMINES AS NOVEL MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2006-06-22 | — | — | WO | disclosed |
| WO-2003035615-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2003-05-01 | — | — | WO | disclosed |