Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL4151983 | 0.73 | ATR (0.39) | CYP17A1ATREPHX2NFKB1NFKB2 | |
| SCHEMBL14110260 | 0.71 | EPHX2 (0.42) | CYP17A1ATREPHX2NFKB1NFKB2 | |
| SCHEMBL19389557 | 0.67 | CYP17A1 (0.35) | CYP17A1ATRNFKB1NFKB2RELA | |
| SCHEMBL30889135 | 0.66 | GAA (0.48) | CYP17A1ATRNFKB1NFKB2RELA | |
| SCHEMBL10515206 | 0.66 | NFKB1 (0.36) | CYP17A1ATREPHX2NFKB1NFKB2 | |
| SCHEMBL19418223 | 0.64 | TSHR (0.39) | CYP17A1ATREPHX2NFKB1NFKB2 | |
| SCHEMBL29102256 | 0.64 | NFKB1 (0.35) | CYP17A1ATRNFKB1NFKB2RELA | |
| SCHEMBL1559072 | 0.64 | CA1 (0.38) | CYP17A1ATRNFKB1NFKB2RELA | |
| SCHEMBL28466003 | 0.63 | CYP17A1 (0.37) | CYP17A1ATRNFKB1NFKB2RELA | |
| SCHEMBL12808363 | 0.63 | NFKB1 (0.36) | CYP17A1ATRNFKB1NFKB2RELA |
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-3682881-A1 | COMPOUND HAVING CYCLIC STRUCTURE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2020-07-22 | — | — | EP | disclosed |