Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD5 | P21918 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 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 | 0.89 | TRPA1 (0.52) | TRPA1CA1CA2CA4CA6 | |
| SCHEMBL6918340 | 0.87 | TRPA1 (0.50) | TRPA1CA1CA2CA4CA6 | |
| SCHEMBL23712633 | 0.85 | TRPA1 (0.42) | TRPA1CA2HIF1AHSD17B10CYP3A4 | |
| SCHEMBL27839568 | 0.85 | ESR1 (0.55) | TRPA1TP53ESR1CNR1AR | |
| SCHEMBL19359681 | 0.84 | TRPA1 (0.59) | TRPA1CA1CA2CA4CA6 | |
| SCHEMBL28996201 | 0.83 | CA1 (0.61) | TRPA1CA1CA2CA4CA6 | |
| SCHEMBL6922835 | 0.80 | ALOX15 (0.50) | TRPA1CA1CA2CA4CA6 | |
| SCHEMBL12432133 | 0.79 | IDO1 (0.41) | CYP3A4CYP2D6ALDH1A1RECQLCYP1A2 | |
| SCHEMBL27424016 | 0.78 | CYP1A2 (0.48) | CA2CYP3A4CYP2D6TSHRALDH1A1 | |
| SCHEMBL27820046 | 0.78 | ESR1 (0.45) | CA2HIF1AHSD17B10CYP3A4KDM4E |
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 2 patents. 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 | claimed |
| 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 |