Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 19/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 15/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10147125 | 0.88 | DGAT1 (0.58) | DGAT1KCNH2CYP2C9CYP3A4 | |
| SCHEMBL4560992 | 0.83 | DGAT1 (0.57) | DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL10147136 | 0.78 | DGAT1 (0.73) | DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL14235553 | 0.78 | DGAT1 (0.61) | DGAT1KCNH2ADORA2A | |
| SCHEMBL10146407 | 0.77 | DGAT1 (0.72) | DGAT1KCNH2ADORA2ACYP2C9CYP3A4 | |
| SCHEMBL4560928 | 0.77 | DGAT1 (0.54) | DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL6993769 | 0.76 | CHEK2 (0.53) | DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL10380674 | 0.76 | DGAT1 (0.71) | DGAT1KCNH2ADORA2ACYP2C9 | |
| SCHEMBL1687858 | 0.76 | DGAT1 (0.51) | DGAT1KCNH2ADORA2ACYP3A4 | |
| SCHEMBL14235043 | 0.76 | DGAT1 (0.59) | DGAT1KCNH2ADORA2ACYP2C9CYP3A4 |
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-2012009217-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |