Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 16/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994712 | 0.85 | DGAT1 (0.54) | DGAT1KCNH2ADORA2ACYP2C9DRD2 | |
| SCHEMBL6993769 | 0.76 | CHEK2 (0.53) | DGAT1KCNH2ADORA2ACYP2C9DRD2 | |
| SCHEMBL1687841 | 0.76 | HTR3E (0.54) | DGAT1KCNH2ADORA2ACYP2C9NPC1 | |
| SCHEMBL14128550 | 0.76 | DGAT1 (0.59) | DGAT1KCNH2ADORA2ACYP2C9NPC1 | |
| SCHEMBL4560992 | 0.75 | DGAT1 (0.57) | DGAT1KCNH2ADORA2ACYP2C9SOAT1 | |
| SCHEMBL4566255 | 0.74 | DGAT1 (0.49) | DGAT1KCNH2ADORA2ACYP2C9NPC1 | |
| SCHEMBL6994359 | 0.74 | CHEK2 (0.50) | DGAT1KCNH2ADORA2ACYP2C9DRD2 | |
| SCHEMBL10081917 | 0.74 | DGAT1 (0.51) | DGAT1KCNH2ADORA2ACYP2C9SOAT1 | |
| SCHEMBL4562113 | 0.74 | DGAT1 (0.52) | DGAT1KCNH2ADORA2ACYP2C9DRD2 | |
| SCHEMBL4543095 | 0.73 | DGAT1 (0.53) | DGAT1KCNH2ADORA2ACYP2C9SOAT1 |
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 |