Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CPB1 | P15086 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22204486 | 0.83 | CDK2 (0.40) | CDK2CCNA2CCNA1CCNE1CDK9 | |
| SCHEMBL22204485 | 0.83 | CDK2 (0.40) | CDK2CCNA2CCNA1CCNE1CDK9 | |
| SCHEMBL28383571 | 0.82 | CPB1 (0.46) | EPHX1CASP3TACR1ALDH1A1CTSL | |
| SCHEMBL29444919 | 0.81 | HDAC4 (0.39) | CDK2CCNA2CCNA1CCNE1CDK9 | |
| SCHEMBL29444920 | 0.81 | HDAC4 (0.39) | CDK2CCNA2CCNA1CCNE1CDK9 | |
| SCHEMBL28381708 | 0.76 | FGFR4 (0.44) | USP30EPHX1CASP3ALDH1A1CTSL | |
| SCHEMBL28378015 | 0.73 | ENPP2 (0.46) | USP30CDK2CCNA2CCNA1EPHX1 | |
| SCHEMBL6612597 | 0.73 | EPHX1 (0.63) | EPHX1CASP3ALDH1A1CTSLCTSB | |
| SCHEMBL22204505 | 0.72 | CCNA2 (0.41) | CDK2CCNA2CCNA1 | |
| Trifluoroacetic Acid SCHEMBL5029718 | 0.71 | ALDH1A1 (0.52) | EPHX1CASP3TACR1ALDH1A1CTSL |
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 |
|---|---|---|---|---|---|---|---|
| CN-110997637-B | Aromatic derivative, preparation method and application thereof in medicine | 保仕健生物科技(上海)有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-110997637-A | Aromatic derivative, preparation method and application thereof in medicine | 博奥阿迪斯生物科技公司 | 2020-04-10 | — | — | CN | disclosed |