Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.53 |
| ▸ | DGAT1 | O75907 | 12/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994359 | 0.90 | CHEK2 (0.50) | CHEK2DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL4560992 | 0.89 | DGAT1 (0.57) | CHEK2DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL10082141 | 0.88 | DGAT1 (0.49) | CHEK2DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL6994712 | 0.88 | DGAT1 (0.54) | CHEK2DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL14235068 | 0.85 | DGAT1 (0.58) | DGAT1KCNH2ADORA2A | |
| SCHEMBL4543375 | 0.83 | CHEK2 (0.59) | CHEK2DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL14235558 | 0.83 | DGAT1 (0.57) | CHEK2DGAT1KCNH2ADORA2A | |
| SCHEMBL10081925 | 0.82 | MGLL (0.55) | DGAT1KCNH2ADORA2ACYP2C9MGLL | |
| SCHEMBL4543095 | 0.82 | DGAT1 (0.53) | CHEK2DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL4560928 | 0.82 | DGAT1 (0.54) | CHEK2DGAT1KCNH2ADORA2ACYP2C9 |
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-2012064569-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | WO | disclosed |