Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27227697 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL403269 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL29597557 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL28901253 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA3CA4 | |
| Naphthalene SCHEMBL27552802 | 0.77 | CYP2A6 (0.38) | — | |
| Naphthalene SCHEMBL19066813 | 0.77 | CYP2A6 (0.38) | — | |
| Indole SCHEMBL27451878 | 0.76 | AHR (0.59) | ALDH1A1CA1CA4CA6 | |
| Carbazole SCHEMBL27896194 | 0.75 | ALDH1A1 (0.52) | ALDH1A1 | |
| Carbazole SCHEMBL27823425 | 0.75 | ALDH1A1 (0.52) | ALDH1A1 | |
| Phenanthrene SCHEMBL28996800 | 0.74 | HSD17B10 (0.48) | ALDH1A1 |
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-113880822-A | Chiral quinoline oxazoline compound containing imine and metal complex thereof, and preparation method and application thereof | 浙江大学 | 2022-01-04 | — | — | CN | disclosed |