Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.93 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.68 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.56 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11575272 | 0.97 | ALDH1A1 (1.00) | ALDH1A1TRPA1GABRA1GABRB2HPGD | |
| SCHEMBL64141 | 0.97 | — | — | |
| SCHEMBL2500374 | 0.97 | ALDH1A1 (1.00) | ALDH1A1TRPA1GABRA1GABRB2HPGD | |
| SCHEMBL29521760 | 0.93 | ALDH1A1 (0.93) | ALDH1A1TRPA1GABRA1GABRB2HPGD | |
| SCHEMBL10895566 | 0.93 | ALDH1A1 (0.93) | ALDH1A1TRPA1GABRA1GABRB2HPGD | |
| SCHEMBL11411128 | 0.93 | ALDH1A1 (0.93) | ALDH1A1TRPA1GABRA1GABRB2HPGD | |
| Hydrochloric Acid SCHEMBL7078680 | 0.93 | ALDH1A1 (0.93) | ALDH1A1TRPA1GABRA1GABRB2HPGD | |
| Bromide SCHEMBL30923434 | 0.93 | ALDH1A1 (0.93) | ALDH1A1TRPA1GABRA1GABRB2HPGD | |
| Methyl Alcohol SCHEMBL28987720 | 0.93 | ALDH1A1 (0.93) | ALDH1A1TRPA1GABRA1GABRB2HPGD | |
| SCHEMBL2158883 | 0.93 | ALDH1A1 (0.93) | ALDH1A1TRPA1GABRA1GABRB2HPGD |
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-1080084-B1 | PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS | DOW GLOBAL TECHNOLOGIES INC (US) | 2004-05-06 | — | — | EP | claimed |