Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 2/20 | 0.33 |
| ▸ | UGCG | Q16739 | 2/20 | 0.33 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14815509 | 0.83 | MCHR1 (0.34) | MCHR1PIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL14829722 | 0.81 | MCHR1 (0.36) | MCHR1PIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL5031810 | 0.80 | HRH3 (0.34) | PIK3CDPIK3CAPIK3CBPI4KAPI4KB | |
| SCHEMBL14829672 | 0.80 | MCHR1 (0.36) | MCHR1PIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL14815544 | 0.72 | ESR1 (0.37) | NAAA | |
| SCHEMBL14815373 | 0.71 | ERN1 (0.36) | MCHR1FYNNAAA | |
| SCHEMBL3916037 | 0.71 | NPC1 (0.40) | PIK3CDPIK3CAPIK3CBPI4KAPI4KB | |
| SCHEMBL20302030 | 0.71 | HRH3 (0.33) | MCHR1CYP4A11 | |
| SCHEMBL2655437 | 0.69 | FFAR1 (0.36) | — | |
| SCHEMBL14829406 | 0.69 | EGLN1 (0.47) | CYP11B1CYP11B2 |
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-2760854-A1 | IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER | Endo Pharmaceuticals Inc. (US) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013049565-A1 | IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER | ENDO PHARMACEUTICALS INC. (US) | 2013-04-04 | — | — | WO | disclosed |