Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL114790 | 0.74 | TP53 (0.37) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL6431354 | 0.70 | ALDH1A1 (0.42) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL21555860 | 0.68 | ALDH1A1 (0.50) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL22762259 | 0.67 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL315316 | 0.67 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL29143219 | 0.67 | ALDH1A1 (0.35) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL26326933 | 0.67 | ALDH1A1 (0.40) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL22750940 | 0.66 | TAAR1 (0.47) | SIGMAR1TRPA1AOC3RIPK1TAAR1 | |
| SCHEMBL12238613 | 0.66 | TRPA1 (0.43) | ALDH1A1SIGMAR1TRPA1RIPK1 | |
| SCHEMBL7733350 | 0.66 | AOC3 (0.42) | ALDH1A1HPGDALOX15ALOX12CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2274409-B1 | USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE | SYMRISE AG (DE) | 2011-10-12 | — | — | EP | disclosed |