Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.48 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.45 |
| ▸ | CDK9 | P50750 | 4/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8759199 | 0.92 | CYP17A1 (0.45) | CYP17A1MAP2K4CCNT1CDK9MAPK14 | |
| SCHEMBL8631496 | 0.86 | MAPK14 (0.43) | CYP17A1MAP2K4MAPK14KDM4EPIK3CD | |
| SCHEMBL8629318 | 0.81 | PTGS2 (0.50) | MAPK14SCN9APIK3CAAAK1NR3C1 | |
| SCHEMBL8631178 | 0.79 | STAT3 (0.47) | MAP2K4MAPK14KDM4ELMNAMAPT | |
| SCHEMBL8630531 | 0.79 | MAPT (0.45) | CYP17A1MAP2K4CCNT1CDK9MAPK14 | |
| SCHEMBL8629484 | 0.79 | MAP2K4 (0.45) | MAP2K4MAPK14PIK3CDPIK3CAPIK3CB | |
| SCHEMBL8631045 | 0.78 | STAT3 (0.42) | CYP17A1MAP2K4MAPK14KDM4EALDH1A1 | |
| SCHEMBL8759075 | 0.78 | MCL1 (0.41) | MAP2K4MAPK14ALDH1A1PIK3CA | |
| SCHEMBL8629394 | 0.78 | KDM4E (0.40) | MAPK14KDM4ELMNAMAPT | |
| SCHEMBL8627771 | 0.77 | ALDH1A1 (0.47) | CYP17A1KDM4EALDH1A1PIK3CAAAK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |