Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | FPR3 | P25089 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | POU2F2 | P09086 | 4/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29068639 | 0.79 | ALDH1A1 (0.51) | ALDH1A1P2RX7RIPK1CNR1ROCK2 | |
| SCHEMBL17198916 | 0.77 | ALDH1A1 (0.40) | ALDH1A1P2RX7CNR1ROCK2ROCK1 | |
| SCHEMBL25840301 | 0.77 | ALDH1A1 (0.50) | ALDH1A1P2RX7RIPK1CNR1ROCK2 | |
| Hydrochloric Acid SCHEMBL28903361 | 0.76 | ALDH1A1 (0.39) | ALDH1A1P2RX7CNR1ROCK2ROCK1 | |
| SCHEMBL17198945 | 0.71 | ALDH1A1 (0.37) | ALDH1A1P2RX7CNR1ROCK2ROCK1 | |
| SCHEMBL4576594 | 0.70 | CYP3A4 (0.48) | ALDH1A1MAPK1 | |
| SCHEMBL5644578 | 0.70 | GAA (0.52) | ALDH1A1ROCK2ROCK1EPHX2 | |
| SCHEMBL22803048 | 0.70 | MCL1 (0.50) | ALDH1A1P2RX7CNR1ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL30496753 | 0.70 | ALDH1A1 (0.36) | ALDH1A1P2RX7KLKB1 | |
| SCHEMBL25780628 | 0.70 | SRC (0.54) | EPHX2MAPK1 |
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-117222628-A | Compound for inhibiting apoptosis and preparation method thereof | 中国科学院上海有机化学研究所 | 2023-12-12 | — | — | CN | disclosed |