Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | RPA1 | P27694 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | C1S | P09871 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL869116 | 0.85 | CA2 (0.65) | PIK3CACA2RPA1ALDH1A1HDAC3 | |
| SCHEMBL2791406 | 0.84 | PIK3CA (0.54) | PIK3CACA2RPA1CNR2HDAC3 | |
| SCHEMBL9508267 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C19F2 | |
| SCHEMBL2164422 | 0.83 | HAO1 (0.57) | PIK3CACA2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21090110 | 0.81 | PIK3CA (0.58) | PIK3CACA2RPA1ALDH1A1CNR2 | |
| SCHEMBL28638605 | 0.80 | PIK3CA (0.50) | PIK3CACA2RPA1CNR2HDAC3 | |
| SCHEMBL11520973 | 0.80 | PIK3CA (0.56) | PIK3CACA2RPA1ALDH1A1CNR2 | |
| SCHEMBL3396522 | 0.80 | PIK3CA (0.56) | PIK3CACA2RPA1HDAC3HDAC1 | |
| SCHEMBL1699595 | 0.80 | PIK3CA (0.56) | PIK3CACA2RPA1ALDH1A1CNR2 | |
| SCHEMBL27835202 | 0.80 | PIK3CA (0.56) | PIK3CACA2RPA1ALDH1A1CNR2 |
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-109761986-B | Tricyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-10-08 | — | — | CN | disclosed |