Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18940479 | 0.85 | ATR (0.43) | CYP17A1ATRMETAP1BRD9GSK3B | |
| SCHEMBL27585072 | 0.85 | ATR (0.37) | CYP17A1ATRMETAP1RAB9ABRD9 | |
| SCHEMBL18961363 | 0.84 | CYP17A1 (0.38) | CYP17A1ATRMETAP1BRD9IDO1 | |
| SCHEMBL25189635 | 0.83 | AAK1 (0.37) | CYP17A1ATRMETAP1BRD9IDO1 | |
| SCHEMBL30209740 | 0.80 | BRD4 (0.41) | ATRMETAP1RAB9AAAK1ALDH1A1 | |
| SCHEMBL24069253 | 0.80 | BRD4 (0.41) | ATRMETAP1RAB9AAAK1ALDH1A1 | |
| SCHEMBL6478595 | 0.77 | HPGD (0.44) | CYP17A1ATRRAB9ABRD9CA12 | |
| SCHEMBL2083740 | 0.76 | METAP1 (0.53) | CYP17A1ATRMETAP1RAB9ABRD9 | |
| SCHEMBL30681980 | 0.76 | METAP1 (0.53) | CYP17A1ATRMETAP1RAB9ABRD9 | |
| SCHEMBL17604700 | 0.76 | KDM4E (0.44) | CYP17A1ATRMAPKAPK2MAPK14ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3323809-A1 | BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE | Sumitomo Dainippon Pharma Co., Ltd. (JP) | 2018-05-23 | — | — | EP | disclosed |