Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.44 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29788929 | 0.88 | PIK3CD (0.61) | CYP17A1CYP11B1CYP11B2PIK3CDPIK3CA | |
| SCHEMBL27971152 | 0.82 | CTSS (0.43) | CYP17A1CYP11B1CYP11B2HPGDSTNIK | |
| Water SCHEMBL27871202 | 0.79 | ALDH1A1 (0.57) | PIK3CDPIK3CAHPGDSPDGFRBPDGFRA | |
| SCHEMBL29788946 | 0.79 | ALDH1A1 (0.57) | PIK3CDPIK3CAHPGDSPDGFRBPDGFRA | |
| SCHEMBL63442 | 0.79 | ALDH1A1 (0.57) | PIK3CDPIK3CAHPGDSPDGFRBPDGFRA | |
| SCHEMBL27971108 | 0.79 | MAP4K4 (0.46) | CYP17A1CYP11B1CYP11B2HPGDSMAP4K4 | |
| Methane SCHEMBL28479303 | 0.78 | ALDH1A1 (0.56) | PIK3CDPIK3CAHPGDSPDGFRBPDGFRA | |
| SCHEMBL27516474 | 0.78 | ALDH1A1 (0.56) | PIK3CDPIK3CAHPGDSPDGFRBPDGFRA | |
| Hydrochloric Acid SCHEMBL28189040 | 0.78 | ALDH1A1 (0.56) | PIK3CDPIK3CAHPGDSPDGFRBPDGFRA | |
| SCHEMBL4965373 | 0.77 | ABCG2 (0.49) | HPGDSCSNK1A1CSNK1DGSK3BCSNK1G2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103906735-A | Novel aryl-quinoline derivatives | HOFFMANN LA ROCHE | 2014-07-02 | — | — | CN | disclosed |