Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 9/20 | 0.48 |
| ▸ | PTGES | O14684 | 6/20 | 0.48 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2361397 | 0.96 | DGAT1 (0.51) | NPBWR1PTGESDGAT1KCNH2PTGS1 | |
| SCHEMBL12446417 | 0.90 | NPBWR1 (0.46) | NPBWR1PTGESDGAT1KCNH2PTGS1 | |
| SCHEMBL2361260 | 0.88 | PTGES (0.43) | NPBWR1PTGESPTGS1 | |
| SCHEMBL2361014 | 0.84 | PTGES (0.43) | PTGESDGAT1 | |
| SCHEMBL2361302 | 0.82 | PTGES (0.58) | PTGES | |
| SCHEMBL2361306 | 0.81 | AMY1A (0.44) | NPBWR1PTGESDGAT1PTGS1 | |
| SCHEMBL2361558 | 0.81 | PTGES (0.53) | PTGESDGAT1 | |
| SCHEMBL2360673 | 0.81 | DGAT1 (0.56) | NPBWR1PTGESDGAT1 | |
| SCHEMBL2365435 | 0.79 | PTGES (0.48) | PTGESDGAT1 | |
| SCHEMBL2342840 | 0.79 | PTGES (0.41) | NPBWR1PTGESPTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | claimed |
| WO-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |