Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.53 |
| ▸ | PIM1 | P11309 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.46 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.46 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.45 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | KDM4B | O94953 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4066634 | 0.84 | PARP1 (0.58) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL16538688 | 0.84 | PARP1 (0.58) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL24617507 | 0.81 | PARP1 (0.58) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL5097264 | 0.77 | PARP1 (0.56) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL27947189 | 0.76 | PARP1 (0.55) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL25275583 | 0.75 | PARP1 (0.61) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL4870787 | 0.73 | PARP1 (0.53) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL29440617 | 0.73 | PIM1 (0.74) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL391295 | 0.73 | PIM1 (0.74) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL29873118 | 0.73 | PARP1 (0.74) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 |
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-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | disclosed |