Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.69 |
| ▸ | CA12 | O43570 | 10/20 | 0.61 |
| ▸ | CA9 | Q16790 | 10/20 | 0.61 |
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | CA4 | P22748 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | CA6 | P23280 | 2/20 | 0.53 |
| ▸ | CA5A | P35218 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14820896 | 0.87 | CA9 (0.69) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL14802523 | 0.84 | CYP2A6 (0.64) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL14802634 | 0.82 | CYP2A6 (0.60) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL14329524 | 0.82 | CYP2A6 (0.60) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL14802475 | 0.82 | CYP2A6 (0.60) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL1108372 | 0.82 | CYP2A6 (1.00) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL27832901 | 0.81 | CA9 (0.65) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL14329517 | 0.80 | CYP2A6 (0.62) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL14329536 | 0.80 | CYP2A6 (0.57) | CYP2A6CA12CA9CA1ALDH1A1 | |
| SCHEMBL14802631 | 0.77 | CYP2A6 (0.62) | CYP2A6CA12CA9CA1ALDH1A1 |
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-102746281-B | 4-1,2,3-triazole-coumarin derivative and its preparation method and application | UNIV SICHUAN | 2015-01-14 | — | — | CN | disclosed |