Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 2/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | PDE2A | O00408 | 3/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL902608 | 0.71 | DGAT1 (0.45) | NPBWR1DGAT1SOAT1KCNH2PDE2A | |
| SCHEMBL10381238 | 0.66 | NPBWR1 (0.42) | NPBWR1DGAT1SOAT1KCNH2 | |
| SCHEMBL15245153 | 0.66 | DGAT1 (0.54) | NPBWR1DGAT1SOAT1KCNH2CHEK2 | |
| SCHEMBL20661007 | 0.65 | PARP1 (0.53) | NPBWR1DGAT1KCNH2 | |
| SCHEMBL20661102 | 0.62 | KDM4E (0.59) | NPBWR1DGAT1KCNH2 | |
| SCHEMBL20660944 | 0.61 | EGFR (0.58) | NPBWR1DGAT1KCNH2 | |
| SCHEMBL10576428 | 0.61 | PKN1 (0.46) | CHEK2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15245155 | 0.61 | DGAT1 (0.56) | NPBWR1DGAT1SOAT1KCNH2CHEK2 | |
| SCHEMBL15245140 | 0.61 | DGAT1 (0.67) | NPBWR1DGAT1SOAT1KCNH2 | |
| SCHEMBL21263976 | 0.60 | NOTUM (0.52) | NPBWR1DGAT1SOAT1KCNH2CHEK2 |
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-2012044567-A2 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |