Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.44 |
| ▸ | IGF1R | P08069 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28996201 | 0.82 | CA1 (0.61) | XDHCA1CA2CA4CA6 | |
| SCHEMBL8539247 | 0.80 | SMN1; SMN2 (0.50) | XDHCA1CA2CA4CA6 | |
| SCHEMBL19359681 | 0.79 | TRPA1 (0.59) | XDHCA1CA2CA4CA6 | |
| SCHEMBL45130 | 0.79 | ESR1 (0.41) | XDHCA2KDM4EMAPTALDH1A1 | |
| Hydroxychavicol SCHEMBL43300 | 0.74 | XDH (1.00) | XDHCA1CA2CA4CA6 | |
| Hydroxychavicol SCHEMBL15676540 | 0.74 | XDH (1.00) | XDHCA1CA2CA4CA6 | |
| SCHEMBL9327485 | 0.72 | ALOX5 (0.37) | ALOX5CYP1A2CYP2C9 | |
| SCHEMBL6820262 | 0.72 | TRPA1 (0.61) | CA1CA2CA4CA6MIF | |
| SCHEMBL16669214 | 0.71 | XDH (0.64) | XDHCA1CA2CA4CA6 | |
| SCHEMBL10671966 | 0.71 | IDO1 (0.42) | ALDH1A1GAAALOX5RECQLTP53 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |