Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL926572 | 0.77 | CYP2A6 (0.52) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR | |
| SCHEMBL29141829 | 0.77 | CYP2A6 (0.52) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR | |
| SCHEMBL27193613 | 0.77 | CYP2A6 (0.52) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR | |
| SCHEMBL7637239 | 0.74 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR | |
| SCHEMBL7632026 | 0.74 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR | |
| SCHEMBL10490653 | 0.72 | NR1H2 (0.47) | ALDH1A1ALDH1A3ALDH3A1CYP2A6NR1H2 | |
| SCHEMBL14407582 | 0.72 | NR1H2 (0.50) | ALDH1A1CYP2A6NR1H2NR1H3HSD17B10 | |
| SCHEMBL16503675 | 0.71 | ALDH1A1 (0.46) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR | |
| SCHEMBL23706508 | 0.71 | CYP2A6 (0.50) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR | |
| Alcohol SCHEMBL28077246 | 0.71 | ALDH1A1 (0.58) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TYR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4868241-A | POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE | AMERICAN CYANAMID COMPANY (US) | 1989-09-19 | — | — | US | claimed |
| EP-0231922-A2 | Electron beam and X-ray resists | AMERICAN CYANAMID COMPANY (US) | 1987-08-12 | — | — | EP | claimed |
| US-4868241-A | POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE | AMERICAN CYANAMID COMPANY (US) | 1989-09-19 | — | — | US | disclosed |
| EP-0231922-A2 | Electron beam and X-ray resists | AMERICAN CYANAMID COMPANY (US) | 1987-08-12 | — | — | EP | disclosed |