Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL876467 | 0.82 | CYP2C9 (0.50) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| SCHEMBL27340963 | 0.82 | CYP2C9 (0.50) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| SCHEMBL12174842 | 0.82 | CYP2C9 (0.50) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| Hydrochloric Acid SCHEMBL1373085 | 0.81 | TDP1 (0.52) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| SCHEMBL2176873 | 0.81 | CYP2C9 (0.53) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| SCHEMBL14665172 | 0.79 | CYP2C9 (0.47) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| SCHEMBL12158515 | 0.78 | CYP2C9 (0.46) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| SCHEMBL13563916 | 0.78 | CYP2C9 (0.46) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| SCHEMBL14664160 | 0.78 | CYP2C9 (0.46) | CYP2C9CYP2C19TSHRMTORHRH4 | |
| SCHEMBL19009013 | 0.78 | CYP2C9 (0.46) | CYP2C9CYP2C19TSHRMTORHRH4 |
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-0831824-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2001-05-02 | — | — | EP | disclosed |
| EP-0831824-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039140-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-12-12 | — | — | WO | disclosed |