Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.37 |
| ▸ | B3GNT2 | Q9NY97 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16634626 | 0.83 | HSP90AA1 (0.54) | CYP3A4PARP1AURKAKDM4ESMN1; SMN2 | |
| SCHEMBL15552842 | 0.81 | TGFBR1 (0.52) | TGFBR1CYP1A2CYP3A4PARP1DAO | |
| SCHEMBL16657405 | 0.80 | TNKS (0.51) | PARP1CSNK2A1AURKAKDM4EDAO | |
| SCHEMBL16657401 | 0.79 | TGFBR1 (0.47) | TGFBR1CYP1A2CYP3A4KDM4ETNKS | |
| SCHEMBL16634859 | 0.77 | AURKA (0.44) | CYP1A2CYP3A4CSNK2A1AURKAKDM4E | |
| SCHEMBL16634608 | 0.76 | RORC (0.47) | AURKAKDM4ESMN1; SMN2DAOSLC22A12 | |
| SCHEMBL16634734 | 0.74 | DAO (0.50) | CYP3A4AURKAKDM4ESMN1; SMN2DAO | |
| SCHEMBL30615562 | 0.74 | TGFBR1 (0.48) | TGFBR1CYP1A2CYP3A4KDM4ETNKS | |
| SCHEMBL21463483 | 0.74 | TGFBR1 (0.48) | TGFBR1CYP1A2CYP3A4KDM4ETNKS | |
| SCHEMBL30615513 | 0.72 | TGFBR1 (0.54) | TGFBR1CYP1A2CYP3A4DAOTNKS |
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 |