Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 19/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 17/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.78 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.77 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL10146483 | 0.90 | DGAT1 (0.81) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146540 | 0.90 | DGAT1 (0.79) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146410 | 0.88 | DGAT1 (0.76) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146545 | 0.87 | DGAT1 (0.64) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146478 | 0.86 | DGAT1 (0.63) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146542 | 0.85 | DGAT1 (0.79) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10147083 | 0.84 | DGAT1 (0.70) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10147233 | 0.83 | DGAT1 (0.77) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146413 | 0.82 | DGAT1 (0.88) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL15073355 | 0.82 | DGAT1 (0.57) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A |
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 |