Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29597557 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL403269 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL28901253 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA3CA4 | |
| Naphthalene SCHEMBL27543353 | 0.78 | CYP2A6 (0.38) | ALDH1A1CA1CA4CA6 | |
| SCHEMBL28177751 | 0.76 | DAO (0.40) | ALDH1A1CA12CA1CA3CA4 | |
| 2-Phenyl-1H-Indole SCHEMBL29008225 | 0.74 | NPC1 (0.65) | ALDH1A1CA12CA1CA9 | |
| SCHEMBL27227697 | 0.73 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL28678145 | 0.73 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA3CA4 | |
| Formic Acid SCHEMBL11192981 | 0.70 | CA1 (0.48) | ALDH1A1CA12CA1CA3CA4 | |
| Acridine SCHEMBL28248780 | 0.69 | ALDH1A1 (0.56) | 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-114989137-B | Chiral imine-containing quinoline imidazoline compound and metal complex thereof, preparation method and application | 浙江大学 | 2024-03-01 | — | — | CN | disclosed |