Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 13/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3131465 | 0.90 | TGFBR1 (0.56) | TGFBR1CACNA1BSTS | |
| SCHEMBL3031564 | 0.85 | CACNA1B (0.52) | TGFBR1RORCCACNA1BSTS | |
| SCHEMBL3125654 | 0.82 | TGFBR1 (0.48) | TGFBR1RORCCACNA1BSTSCYP3A4 | |
| SCHEMBL3035925 | 0.81 | CACNA1B (0.62) | TGFBR1CACNA1BSTSCYP3A4 | |
| SCHEMBL3035528 | 0.79 | CYP3A4 (0.52) | TGFBR1RORCCACNA1BSTSCYP3A4 | |
| SCHEMBL3134641 | 0.79 | CACNA1B (0.65) | CACNA1BCYP3A4 | |
| SCHEMBL3125681 | 0.79 | CACNA1B (0.46) | RORCCACNA1BCYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL2189813 | 0.78 | CACNA1B (0.52) | TGFBR1RORCCACNA1BSTSCYP3A4 | |
| SCHEMBL3136551 | 0.77 | STS (0.52) | TGFBR1CACNA1BSTS | |
| SCHEMBL3133741 | 0.76 | GAA (0.42) | CACNA1BCYP3A4CYP2C19SMN1; SMN2 |
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 |