Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.54 |
| ▸ | AURKA | O14965 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | RORC | P51449 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | B3GNT2 | Q9NY97 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.42 |
| ▸ | GABRD | O14764 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16634734 | 0.83 | DAO (0.50) | AURKAKDM4ESMN1; SMN2RORCCYP3A4 | |
| SCHEMBL16634724 | 0.83 | TGFBR1 (0.47) | HSP90AA1AURKAKDM4ESMN1; SMN2RORC | |
| SCHEMBL21463543 | 0.82 | HSP90AA1 (0.57) | HSP90AA1AURKADAOGABRPGABRD | |
| SCHEMBL30615631 | 0.82 | HSP90AA1 (0.57) | HSP90AA1AURKADAOGABRPGABRD | |
| SCHEMBL16634859 | 0.81 | AURKA (0.44) | HSP90AA1AURKAKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL16634608 | 0.80 | RORC (0.47) | AURKAKDM4ESMN1; SMN2RORCCYP2C9 | |
| SCHEMBL23119726 | 0.80 | HSP90AA1 (0.56) | HSP90AA1AURKAKDM4EDAOGABRP | |
| SCHEMBL22583745 | 0.80 | AURKA (0.55) | HSP90AA1AURKADAOGABRPGABRD | |
| SCHEMBL5011347 | 0.78 | KDM4E (0.78) | AURKAKDM4ESMN1; SMN2PARP1 | |
| SCHEMBL16634744 | 0.77 | L3MBTL1 (0.55) | HSP90AA1AURKAKDM4ESMN1; SMN2DAO |
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 |