Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 8/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | CHEK2 | O96017 | 7/20 | 0.52 |
| ▸ | MGLL | Q99685 | 3/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4543375 | 0.93 | CHEK2 (0.59) | DGAT1KCNH2ADORA2ACHEK2MGLL | |
| SCHEMBL4560992 | 0.91 | DGAT1 (0.57) | DGAT1KCNH2ADORA2ACHEK2MGLL | |
| SCHEMBL1687860 | 0.84 | AURKA (0.49) | DGAT1KCNH2ADORA2ACHEK2MGLL | |
| SCHEMBL4538780 | 0.83 | DGAT1 (0.51) | DGAT1KCNH2ADORA2ACHEK2AURKA | |
| SCHEMBL6993769 | 0.82 | CHEK2 (0.53) | DGAT1KCNH2ADORA2ACHEK2MGLL | |
| SCHEMBL1687841 | 0.82 | HTR3E (0.54) | DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL14128550 | 0.81 | DGAT1 (0.59) | DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL6994712 | 0.81 | DGAT1 (0.54) | DGAT1KCNH2ADORA2ACHEK2CYP2C9 | |
| SCHEMBL10082131 | 0.81 | DGAT1 (0.49) | DGAT1KCNH2ADORA2AMGLLCYP2C9 | |
| SCHEMBL1687858 | 0.80 | DGAT1 (0.51) | DGAT1KCNH2ADORA2AMGLL |
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 |