Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 19/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10146417 | 0.90 | DGAT1 (0.64) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146448 | 0.88 | DGAT1 (0.59) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146406 | 0.84 | DGAT1 (0.88) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146409 | 0.84 | DGAT1 (0.88) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10147223 | 0.83 | DGAT1 (0.89) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10147091 | 0.82 | DGAT1 (0.74) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10146445 | 0.82 | DGAT1 (0.64) | DGAT1KCNH2CYP2C9CYP3A4 | |
| SCHEMBL10146535 | 0.82 | DGAT1 (0.88) | DGAT1KCNH2CYP2C9CYP3A4ADORA2A | |
| SCHEMBL10147090 | 0.81 | DGAT1 (0.61) | DGAT1KCNH2CYP2C9CYP3A4 | |
| SCHEMBL10146413 | 0.81 | DGAT1 (0.88) | 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 |