Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 9/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2188583 | 0.88 | CYP3A4 (0.47) | CACNA1BCYP3A4NR1I2CYP2C19CYP2D6 | |
| SCHEMBL2189917 | 0.81 | CYP3A4 (0.45) | CACNA1BCYP3A4NR1I2CYP2C19CYP2D6 | |
| SCHEMBL15103475 | 0.81 | CACNA1B (0.55) | CACNA1BCYP3A4NR1I2CYP2C19CYP2D6 | |
| SCHEMBL15103434 | 0.79 | CACNA1B (0.67) | CACNA1BCYP3A4NR1I2POLBCNR1 | |
| SCHEMBL7930230 | 0.77 | CNR1 (0.42) | CACNA1BCYP3A4NR1I2CNR1AKR1C3 | |
| SCHEMBL2189744 | 0.77 | KMT2A (0.44) | CACNA1BCYP3A4NR1I2POLB | |
| SCHEMBL2187207 | 0.77 | KMT2A (0.44) | CACNA1BCYP3A4NR1I2POLB | |
| SCHEMBL2193100 | 0.77 | CNR1 (0.42) | CACNA1BCYP3A4NR1I2CNR1AKR1C3 | |
| SCHEMBL7929086 | 0.77 | KMT2A (0.44) | CACNA1BCYP3A4NR1I2POLB | |
| SCHEMBL2188221 | 0.77 | CNR1 (0.42) | CACNA1BCYP3A4NR1I2CNR1AKR1C3 |
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-2344450-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010036589-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK SHARP & DOHME CORP. (US) | 2010-04-01 | — | — | WO | disclosed |