Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 17/20 | 0.65 |
| ▸ | CYP11B2 | P19099 | 17/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.65 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.65 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TDP2 | O95551 | 1/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6188859 | 0.87 | CYP11B1 (0.59) | CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1 | |
| SCHEMBL1883042 | 0.86 | CYP11B1 (0.76) | CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1 | |
| SCHEMBL31266571 | 0.83 | DRD2 (0.49) | CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1 | |
| SCHEMBL28403784 | 0.82 | DRD2 (0.63) | CYP11B1CYP11B2CYP1A2ALDH1A1 | |
| SCHEMBL29756191 | 0.82 | DRD2 (0.63) | CYP11B1CYP11B2CYP1A2ALDH1A1 | |
| SCHEMBL1436033 | 0.81 | KDM4E (0.63) | CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1 | |
| SCHEMBL4525557 | 0.80 | PDE3B (0.56) | CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1 | |
| SCHEMBL1119375 | 0.79 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1 | |
| SCHEMBL1119425 | 0.79 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1 | |
| SCHEMBL29892591 | 0.79 | PARP10 (0.71) | CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0994862-B1 | SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION | SMITHKLINE BEECHAM PLC (GB) | 2005-06-01 | — | — | EP | disclosed |
| CN-1261883-A | Novel compounds | SMITHKLINE BEECHAM PLC (GB) | 2000-08-02 | — | — | CN | disclosed |