Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1268381 | 0.89 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL14661913 | 0.87 | BRD4 (0.48) | KMT2ASMN1; SMN2BRD4 | |
| SCHEMBL3123091 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL9462245 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL7280898 | 0.82 | CYP3A4 (0.55) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL16430268 | 0.80 | KMT2A (0.46) | KMT2ASMN1; SMN2GAA | |
| SCHEMBL8348748 | 0.79 | GRM2 (0.56) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL1269677 | 0.79 | DRD4 (0.54) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL15415176 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL28155226 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A |
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 |