Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 19/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 10/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3040070 | 0.89 | CACNA1B (0.65) | CACNA1BCYP3A4NR1I2CHRM2 | |
| SCHEMBL3030478 | 0.89 | CACNA1B (0.65) | CACNA1BCYP3A4NR1I2CHRM2 | |
| SCHEMBL3136127 | 0.85 | CACNA1B (0.50) | CACNA1BCYP3A4NR1I2CHRM2 | |
| SCHEMBL3026739 | 0.83 | CACNA1B (0.64) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3138334 | 0.81 | CACNA1B (0.57) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3126328 | 0.80 | CACNA1B (0.45) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3126278 | 0.79 | CACNA1B (0.58) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3131465 | 0.76 | TGFBR1 (0.56) | CACNA1B | |
| SCHEMBL13634970 | 0.76 | CACNA1B (0.62) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3123731 | 0.75 | KMT2A (0.46) | CACNA1BNR1I2 |
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 | disclosed |
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |