Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 10/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.39 |
| ▸ | AGPAT2 | O15120 | 3/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2362184 | 0.89 | AMY1A (0.42) | KDM4EALDH1A1CYP1A2HPGDPDE2A | |
| SCHEMBL2361209 | 0.81 | PTGES (0.43) | KDM4EALDH1A1CYP1A2HPGDPTGES | |
| SCHEMBL2360673 | 0.74 | DGAT1 (0.56) | KDM4EALDH1A1HPGDPTGESCYP2C9 | |
| SCHEMBL2336514 | 0.72 | PTGES (0.45) | PTGESCYP2C9DGAT1AMY1ACYP2D6 | |
| SCHEMBL13405913 | 0.71 | PTGES (0.46) | KDM4EALDH1A1HPGDPDE2APDE10A | |
| SCHEMBL2361558 | 0.71 | PTGES (0.53) | KDM4EALDH1A1HPGDPTGESCYP2C9 | |
| SCHEMBL13405914 | 0.70 | RHEB (0.54) | KDM4EALDH1A1CYP1A2HPGDPTGES | |
| SCHEMBL14146871 | 0.69 | PTGES (0.47) | PTGESCYP2C9PTGS1CYP2D6 | |
| SCHEMBL13406020 | 0.68 | DGAT1 (0.54) | KDM4EALDH1A1HPGDPTGESDGAT1 | |
| SCHEMBL3796625 | 0.67 | PTGES (0.43) | KDM4EALDH1A1CYP1A2HPGDPDE2A |
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 |