Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 19/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.49 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10146443 | 0.88 | DGAT1 (0.87) | DGAT1CYP2C9KCNH2NPY5R | |
| SCHEMBL10146482 | 0.87 | DGAT1 (0.88) | DGAT1CYP2C9KCNH2NPY5RADORA2A | |
| SCHEMBL10146489 | 0.86 | DGAT1 (0.88) | DGAT1CYP2C9KCNH2NPY5RADORA2A | |
| SCHEMBL10146480 | 0.86 | DGAT1 (0.77) | DGAT1CYP2C9KCNH2NPY5RADORA2A | |
| SCHEMBL10147136 | 0.82 | DGAT1 (0.73) | DGAT1CYP2C9KCNH2NPY5RADORA2A | |
| SCHEMBL10146487 | 0.80 | DGAT1 (0.87) | DGAT1CYP2C9KCNH2ADORA2A | |
| SCHEMBL10147131 | 0.76 | DGAT1 (0.71) | DGAT1CYP2C9KCNH2ADORA2A | |
| SCHEMBL10146541 | 0.75 | DGAT1 (0.71) | DGAT1CYP2C9KCNH2 | |
| SCHEMBL1687841 | 0.75 | HTR3E (0.54) | DGAT1CYP2C9KCNH2ADORA2A | |
| SCHEMBL10147216 | 0.74 | DGAT1 (0.65) | DGAT1CYP2C9NPY5R |
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 |