Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | IAPP | P10997 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | IGF1R | P08069 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6824104 | 0.95 | TRPA1 (0.52) | TRPA1IAPPTRPV1ALOX15ALOX12 | |
| SCHEMBL6820262 | 0.87 | TRPA1 (0.61) | TRPA1IAPPTYRALOX15ALOX12 | |
| SCHEMBL27839582 | 0.87 | ESR1 (0.50) | TYRESR1AR | |
| SCHEMBL6025130 | 0.85 | TYR (0.43) | TYRHSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL9357789 | 0.85 | KDM4E (0.49) | TYRALOX15MEN1KMT2AHSD17B10 | |
| SCHEMBL23748471 | 0.85 | TYR (0.45) | TYRALOX15MEN1KMT2AHSD17B10 | |
| SCHEMBL28245926 | 0.85 | TYR (0.43) | TYRHSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL2554417 | 0.85 | ESR1 (0.49) | TYRESR1AR | |
| SCHEMBL2047429 | 0.85 | ESR1 (0.49) | TYRESR1AR | |
| SCHEMBL27839584 | 0.85 | ESR1 (0.49) | TYRESR1AR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004018416-A1 | 4-[(ALKYLSULFANYL)METHYL]-1, 2-BENZENEDIOL, PREPARATION METHOD THEREOF AND ANTIOXIDANT CONTAINING THE SAME | REX BIOSCIENCES INC. (KR) | 2004-03-04 | — | — | WO | disclosed |