Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | RHEB | Q15382 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 3/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29954569 | 0.79 | CYP2A6 (0.52) | CYP2A6KIF11ALDH1A1ALDH1A3 | |
| SCHEMBL15652269 | 0.78 | CYP2A6 (0.50) | CYP2A6AHRKIF11ALDH1A1CDK8 | |
| SCHEMBL19586691 | 0.74 | CYP2A6 (0.50) | CYP2A6KIF11ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL29644241 | 0.74 | AHR (0.54) | CYP2A6RHEBAHRCSNK2A1ALDH1A1 | |
| SCHEMBL1020056 | 0.74 | AHR (0.54) | CYP2A6RHEBAHRCSNK2A1ALDH1A1 | |
| SCHEMBL16452861 | 0.74 | ALDH1A1 (0.49) | CYP2A6ALDH1A1ALDH1A3 | |
| SCHEMBL15475106 | 0.73 | XDH (0.46) | CYP2A6KIF11ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL2516555 | 0.71 | RHEB (0.50) | CYP2A6RHEBAHRCSNK2A1ALDH1A1 | |
| SCHEMBL996179 | 0.71 | AHR (0.50) | CYP2A6RHEBAHRCSNK2A1ALDH1A1 | |
| SCHEMBL31435859 | 0.71 | RHEB (0.50) | CYP2A6RHEBAHRCSNK2A1ALDH1A1 |
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-112300129-B | Heterocyclic compounds as BCR-ABL inhibitors | 苏州亚盛药业有限公司 | 2021-09-14 | — | — | CN | disclosed |