Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 11/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3035166 | 0.95 | CACNA1B (0.65) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3025678 | 0.88 | CACNA1B (0.55) | CACNA1BCYP3A4NR1I2ALDH1A1GLA | |
| SCHEMBL3040285 | 0.85 | CACNA1B (0.53) | CACNA1BCYP3A4NR1I2ALDH1A1 | |
| SCHEMBL3032924 | 0.85 | CACNA1B (0.62) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3040546 | 0.80 | CACNA1B (0.71) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3040990 | 0.80 | CACNA1B (0.61) | CACNA1BCYP3A4NR1I2ALDH1A1 | |
| SCHEMBL3036583 | 0.79 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2HRH1CCR3 | |
| SCHEMBL3025726 | 0.79 | CACNA1B (0.62) | CACNA1BCYP3A4NR1I2ALDH1A1 | |
| SCHEMBL3039844 | 0.78 | CACNA1B (0.67) | CACNA1BCYP3A4NR1I2 | |
| SCHEMBL3035904 | 0.78 | CACNA1B (0.67) | CACNA1BCYP3A4NR1I2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |