Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | BLM | P54132 | 2/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL9829422 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| Hydrochloric Acid SCHEMBL9828254 | 0.99 | PMP22 (0.63) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| Hydrochloric Acid SCHEMBL9828251 | 0.99 | PMP22 (0.63) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL10684886 | 0.87 | CYP3A4 (0.64) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL9828817 | 0.85 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL25453163 | 0.84 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| Hydrochloric Acid SCHEMBL9829880 | 0.84 | PMP22 (0.63) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL8828148 | 0.83 | AOC3 (0.60) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL27344390 | 0.82 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL9160606 | 0.82 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2D6BLMPMP22 |
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-0256888-B1 | BENZOTHIAZEPINE VASODILATORS HAVING ARALKYL SUBSTITUTION | McNeilab, Inc. (US) | 1991-07-03 | — | — | EP | disclosed |
| US-4729994-A | Benzothiazepine vasodilators having aralkyl substitution | MCNEILAB, INC. (US) | 1988-03-08 | — | — | US | disclosed |
| EP-0256888-A1 | Benzothiazepine vasodilators having aralkyl substitution | McNeilab, Inc. (US) | 1988-02-24 | — | — | EP | disclosed |