Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 2/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.42 |
| ▸ | ADH5 | P11766 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23165627 | 1.00 | ALDH1A1 (0.46) | ALDH1A1ALOX5RARBRARGADH5 | |
| SCHEMBL18603139 | 0.85 | ALDH1A1 (0.49) | ALDH1A1ALOX5RARBRARGADH5 | |
| SCHEMBL4407996 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ALOX5RARBRARGADH5 | |
| SCHEMBL12548095 | 0.78 | TBK1 (0.36) | ALDH1A1ALOX5RARBADH5KMO | |
| Hydrochloric Acid SCHEMBL5427204 | 0.77 | ALDH1A1 (0.43) | ALDH1A1ALOX5RARBRARGADH5 | |
| SCHEMBL22273714 | 0.76 | ALOX5 (0.63) | ALDH1A1ALOX5RARBRARGADH5 | |
| SCHEMBL750501 | 0.76 | ALDH1A1 (0.57) | ALDH1A1ALOX5RARBRARGADH5 | |
| Hydrochloric Acid SCHEMBL12803102 | 0.75 | ALDH1A1 (0.55) | ALDH1A1ALOX5RARBRARGADH5 | |
| SCHEMBL29717176 | 0.75 | ALDH1A1 (0.43) | ALDH1A1RARBRARGADH5XDH | |
| SCHEMBL19554382 | 0.74 | TBK1 (0.36) | ALDH1A1ALOX5RARBADH5KMO |
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-114761000-A | Substituted 1, 6-naphthyridine inhibitors of CDK5 | 金翅雀生物公司 | 2022-07-15 | — | — | CN | disclosed |