Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 7/20 | 0.52 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.50 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.50 |
| ▸ | SCD | O00767 | 4/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 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 | |
|---|---|---|---|---|
| SCHEMBL900860 | 0.76 | DGAT1 (0.63) | DGAT1SOAT1 | |
| SCHEMBL15640487 | 0.72 | CHEK2 (0.79) | CHEK2SCDHDAC6CYP3A4CYP2D6 | |
| SCHEMBL1911538 | 0.69 | ALDH1A1 (0.67) | CHEK2SCD | |
| SCHEMBL5680021 | 0.69 | CHEK2 (1.00) | CHEK2SCD | |
| SCHEMBL902147 | 0.67 | DGAT1 (0.68) | DGAT1SOAT1 | |
| SCHEMBL902547 | 0.67 | DGAT1 (0.78) | DGAT1SOAT1 | |
| SCHEMBL902304 | 0.66 | DGAT1 (0.76) | DGAT1SOAT1MMP2MMP9NPBWR1 | |
| SCHEMBL10189113 | 0.66 | DGAT1 (0.64) | DGAT1SOAT1SCDNPBWR1 | |
| SCHEMBL490323 | 0.66 | HDAC6 (0.86) | CHEK2SCDHDAC6CYP3A4CYP2D6 | |
| SCHEMBL30884657 | 0.66 | HDAC6 (0.94) | CHEK2SCDHDAC6CYP3A4CYP2D6 |
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-2012044567-A2 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |