Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 4/20 | 0.41 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29023061 | 1.00 | AR (0.55) | ARROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL23278530 | 0.77 | GAA (0.39) | — | |
| SCHEMBL16386533 | 0.76 | AR (0.58) | ARROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL17738978 | 0.74 | IDO1 (0.55) | ARALDH1A1PIK3CD | |
| SCHEMBL4871243 | 0.72 | AR (0.65) | ARROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL4876412 | 0.72 | AR (0.65) | ARROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL30050594 | 0.71 | KDM4E (0.48) | ROCK2ROCK1ALDH1A1POLBKDM4E | |
| SCHEMBL3601629 | 0.71 | AR (1.00) | ARALDH1A1LMNA | |
| SCHEMBL31589231 | 0.71 | CYP11B2 (0.36) | — | |
| SCHEMBL20177014 | 0.71 | NOS1 (0.42) | — |
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-116348453-A | Heteroaromatic carboxamide compounds and uses thereof | 烨辉医药科技(上海)有限公司 | 2023-06-27 | — | — | CN | disclosed |