Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.67 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | QPCT | Q16769 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
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 SCHEMBL10510793 | 0.99 | CYP2D6 (0.68) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7068561 | 0.92 | CYP2D6 (0.77) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL18746335 | 0.87 | CYP2D6 (0.74) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL10575923 | 0.82 | CYP2D6 (0.76) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL14129849 | 0.82 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL14129854 | 0.81 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL14129968 | 0.79 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL10511254 | 0.79 | CYP2D6 (0.64) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL8780938 | 0.79 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL6573617 | 0.78 | CYP2D6 (0.72) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4851526-A | ANTIARRYTHMIA, HYPOTENSIVE, ANTIISCHEMIC | SCHERING A.G. (DE) | 1989-07-25 | — | — | US | disclosed |
| EP-0306440-A2 | 1-(4-substituted phenyl)-1H-imidazoles as cardiovascular agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-03-08 | — | — | EP | disclosed |