Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | GLA | P06280 | 2/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL16657402 | 0.79 | EGFR (0.50) | GAANUDT1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16645268 | 0.77 | DHODH (0.52) | ALDH1A1GAAKDM4EGLACYP1A2 | |
| SCHEMBL16657374 | 0.74 | ALDH1A1 (0.46) | ALDH1A1GAAKDM4EGLANUDT1 | |
| SCHEMBL16345475 | 0.74 | KDM4E (0.49) | ALDH1A1GAAKDM4EGLACYP1A2 | |
| SCHEMBL3276783 | 0.73 | MAPT (0.51) | ALDH1A1GAAKDM4EGLACYP1A2 | |
| SCHEMBL31254952 | 0.73 | MAPT (0.51) | ALDH1A1GAAKDM4EGLACYP1A2 | |
| SCHEMBL1457756 | 0.73 | KDM4E (0.61) | ALDH1A1GAAKDM4EGLACYP1A2 | |
| SCHEMBL22983517 | 0.72 | GAA (0.67) | ALDH1A1GAAKDM4EROCK2MAPT | |
| SCHEMBL22471652 | 0.72 | CYP1A2 (0.44) | ALDH1A1KDM4ENUDT1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4418745 | 0.72 | MAPT (0.59) | ALDH1A1GAAKDM4EGLACYP1A2 |
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-2015052675-A1 | SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2015-04-16 | — | — | WO | disclosed |