Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.37 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL203945 | 1.00 | ACHE (0.47) | ACHETDP1MCL1ALDH1A1CYP2A6 | |
| SCHEMBL27872617 | 0.92 | ACHE (0.40) | ACHETDP1MCL1ALDH1A1CYP2A6 | |
| SCHEMBL27885278 | 0.90 | MCL1 (0.38) | ACHETDP1MCL1ALDH1A1CYP2A6 | |
| SCHEMBL28070704 | 0.90 | MCL1 (0.38) | ACHETDP1MCL1ALDH1A1CYP2A6 | |
| SCHEMBL8215851 | 0.86 | MLYCD (0.40) | ACHETDP1MCL1CYP2C9HPGD | |
| SCHEMBL28074310 | 0.86 | ALDH1A1 (0.41) | ACHETDP1MCL1ALDH1A1CYP2A6 | |
| SCHEMBL208526 | 0.84 | ALDH1A1 (0.35) | TDP1ALDH1A1 | |
| Water SCHEMBL3763584 | 0.84 | ACHE (0.67) | ACHETDP1MCL1ALDH1A1CYP2A6 | |
| SCHEMBL17200849 | 0.84 | ALDH1A1 (0.35) | TDP1ALDH1A1 | |
| Water SCHEMBL3680095 | 0.84 | ACHE (0.67) | ACHETDP1MCL1ALDH1A1CYP2A6 |
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-115894455-A | Quinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2023-04-04 | — | — | CN | disclosed |