Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.59 |
| ▸ | TNKS | O95271 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6177041 | 0.91 | TNKS (0.57) | CYSLTR1TNKSCYP2D6KDM4ECYP1A2 | |
| SCHEMBL6177272 | 0.90 | CYP1A1 (0.56) | CYSLTR1TNKSCYP2D6KDM4ECYP3A4 | |
| SCHEMBL6176722 | 0.88 | CYSLTR1 (0.57) | CYSLTR1TNKSKDM4EMAPTCYP1A2 | |
| SCHEMBL8875513 | 0.87 | CYP1A2 (0.49) | CYSLTR1TNKSCYP2D6KDM4ECYP3A4 | |
| SCHEMBL6177306 | 0.87 | CYSLTR1 (0.57) | CYSLTR1TNKSKDM4EPRKDCMEN1 | |
| SCHEMBL6176117 | 0.82 | CYSLTR1 (0.58) | CYSLTR1TNKSCYP1A2CYP1A1CYP1B1 | |
| SCHEMBL1516397 | 0.82 | CYSLTR1 (0.78) | CYSLTR1TNKSCYP2D6KDM4ECYP3A4 | |
| SCHEMBL10637766 | 0.81 | CYP2D6 (0.76) | CYSLTR1TNKSCYP2D6KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL10995142 | 0.80 | CYSLTR1 (0.76) | CYSLTR1TNKSCYP2D6KDM4ECYP3A4 | |
| SCHEMBL6175634 | 0.79 | CYSLTR1 (0.79) | CYSLTR1 |
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-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |
| US-5474994-A | Treating hypertension, urethral and lower urinary tract contractions | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-12-12 | — | — | US | disclosed |