Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 16/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2361612 | 0.82 | PTGES (0.50) | PTGESJAK2CYP2D6CYP2C9 | |
| SCHEMBL2361351 | 0.81 | AMY1A (0.45) | PTGESJAK2CYP2D6CYP2C9 | |
| SCHEMBL2361320 | 0.75 | PTGES (0.47) | PTGESJAK2CYP2C9 | |
| SCHEMBL5202015 | 0.74 | RPS6KA2 (0.45) | PTGESJAK2 | |
| SCHEMBL2361007 | 0.74 | PTGES (0.61) | PTGESJAK2CYP2D6CYP2C9 | |
| SCHEMBL2362277 | 0.73 | PLAU (0.51) | — | |
| SCHEMBL2361085 | 0.72 | AMY1A (0.44) | PTGESJAK2PDE7AORAI1 | |
| SCHEMBL2361888 | 0.72 | AMY1A (0.47) | PTGESJAK2PDE7ACYP2D6CYP2C9 | |
| SCHEMBL14629876 | 0.72 | PTGES (0.52) | PTGESJAK2CYP2C9 | |
| SCHEMBL2361818 | 0.72 | RAB9A (0.47) | PTGES |
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-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |