Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 9/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30338495 | 0.78 | CYP2A6 (0.50) | CYP11B1CYP11B2CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL3135646 | 0.78 | ALOX5AP (0.35) | ALDH1A1 | |
| SCHEMBL3138561 | 0.78 | CYP2A6 (0.50) | CYP11B1CYP11B2CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL26631657 | 0.73 | PTGS2 (0.44) | CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1 | |
| SCHEMBL30545136 | 0.72 | CNR1 (0.56) | CYP11B1CYP11B2CYP3A4CYP17A1PDK2 | |
| SCHEMBL14832292 | 0.72 | CNR1 (0.56) | CYP11B1CYP11B2CYP3A4CYP17A1PDK2 | |
| SCHEMBL31356506 | 0.72 | CYP1A2 (0.49) | CYP3A4ALDH1A1CYP1A2CYP2A6HTT | |
| SCHEMBL14832293 | 0.71 | CYP11B1 (0.56) | CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1 | |
| SCHEMBL29202394 | 0.70 | RAB9A (0.47) | CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1 | |
| SCHEMBL12692422 | 0.69 | NPY5R (0.64) | CYP11B1CYP11B2CYP3A4ALDH1A1CYP1A2 |
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-2205083-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | claimed |
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | claimed |