Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21283342 | 0.77 | CYP2D6 (0.53) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2D6 | |
| SCHEMBL27513323 | 0.71 | CYP2A6 (0.54) | CYP11B1CYP11B2CYP17A1CYP19A1CYP2D6 | |
| SCHEMBL16105325 | 0.71 | ALDH1A1 (0.50) | CYP2D6CYP1A2HTR1ADRD2GPR84 | |
| SCHEMBL28480379 | 0.70 | CYP1A2 (0.53) | CYP2D6CYP1A2HTR1ADRD2GPR84 | |
| SCHEMBL19096733 | 0.70 | CYP11B1 (0.56) | CYP11B1CYP11B2CYP2D6CYP1A2HTR1A | |
| SCHEMBL7015751 | 0.69 | CYP1A2 (0.56) | CYP2D6CYP1A2HTR1ADRD2ALDH1A1 | |
| SCHEMBL3648927 | 0.69 | CDK2 (0.57) | CYP11B1CYP11B2CYP17A1CYP19A1MAPK9 | |
| SCHEMBL4155177 | 0.69 | PTGDR (0.49) | CYP11B1CYP11B2CYP17A1CYP19A1IDO1 | |
| SCHEMBL29485692 | 0.69 | CHRNA7 (0.74) | CYP2D6CYP1A2 | |
| SCHEMBL724866 | 0.69 | CHRNA7 (0.74) | CYP2D6CYP1A2 |
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-1940406-A2 | POTASSIUM CHANNEL INHIBITORS | Merck and Co., Inc. (US) | 2008-07-09 | — | — | EP | claimed |
| WO-2007050348-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2007-05-03 | — | — | WO | claimed |