Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | WDR5 | P61964 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.46 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.46 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.46 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.46 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.46 |
| ▸ | ATP4A | P20648 | 2/20 | 0.46 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.46 |
| ▸ | ATP4B | P51164 | 2/20 | 0.46 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.46 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5448791 | 0.84 | MAPT (0.40) | MAPTNPC1CYP2C9RAB9AWDR5 | |
| SCHEMBL5943999 | 0.82 | MAPT (0.45) | MAPTNPC1CYP2C9RAB9AWDR5 | |
| SCHEMBL6700831 | 0.78 | MAPT (0.61) | MAPTNPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14344249 | 0.78 | MAPT (0.61) | MAPTNPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6968592 | 0.78 | MAPT (0.53) | MAPTNPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6325398 | 0.78 | MAPT (0.53) | MAPTNPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6700823 | 0.78 | MAPT (0.53) | MAPTNPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7235975 | 0.77 | NPC1 (0.55) | MAPTNPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8501869 | 0.77 | ALDH1A1 (0.34) | MAPTNPC1CYP2C9RAB9AWDR5 | |
| SCHEMBL5634925 | 0.77 | MAPT (0.34) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1306375-B1 | SALTS OF BENZIMIDAZOLE COMPOUND AND APPLICATION THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2006-10-11 | — | — | EP | claimed |
| EP-2227462-A1 | CRYSTALLINE SOLVATED FORMS OF (R) -2- [[[3-METHYL-4- (2, 2, 2-TRIFLUOROETHOXY) -2-PYRIDINYL]METHYL]SULFINYL]-1H-BENZ IMIDAZOLE | Takeda Pharmaceutical Company Limited (JP) | 2010-09-15 | — | — | EP | disclosed |