Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 19/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14971609 | 0.84 | DGAT1 (0.47) | DGAT1KCNH2SOAT1CYP3A4CYP2C9 | |
| SCHEMBL14971563 | 0.84 | DGAT1 (0.47) | DGAT1KCNH2SOAT1CYP3A4CYP2C9 | |
| SCHEMBL14969219 | 0.84 | DGAT1 (0.47) | DGAT1KCNH2SOAT1CYP3A4CYP2C9 | |
| SCHEMBL14971669 | 0.83 | DGAT1 (0.49) | DGAT1KCNH2SOAT1CYP3A4CYP2C9 | |
| SCHEMBL14971556 | 0.83 | DGAT1 (0.56) | DGAT1KCNH2SOAT1ADORA2A | |
| SCHEMBL14969335 | 0.83 | DGAT1 (0.40) | DGAT1KCNH2SOAT1ADORA2A | |
| SCHEMBL14971708 | 0.80 | DHODH (0.39) | DGAT1KCNH2SOAT1ADORA2A | |
| SCHEMBL15245111 | 0.80 | DGAT1 (0.56) | DGAT1 | |
| SCHEMBL14971807 | 0.78 | DGAT1 (0.52) | DGAT1KCNH2SOAT1CYP3A4CYP2C9 | |
| SCHEMBL14971831 | 0.77 | DGAT1 (0.37) | DGAT1KCNH2SOAT1ADORA2A |
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-2013074387-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |