Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | AHR | P35869 | 3/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30091394 | 0.81 | TDP1 (0.55) | HSD17B10ALDH1A1TDP1TSHRCYP2A6 | |
| SCHEMBL415466 | 0.81 | TDP1 (0.55) | HSD17B10ALDH1A1TDP1TSHRCYP2A6 | |
| SCHEMBL13935797 | 0.74 | TDP1 (0.52) | HSD17B10ALDH1A1TDP1TSHRCYP2A6 | |
| SCHEMBL21019890 | 0.74 | TDP1 (0.61) | HSD17B10ALDH1A1TDP1TSHRCYP2A6 | |
| SCHEMBL7912365 | 0.74 | ABCG2 (0.60) | HSD17B10ALDH1A1TDP1L3MBTL1MCL1 | |
| SCHEMBL6316182 | 0.74 | HSD17B10 (0.46) | HSD17B10ALDH1A1TDP1TSHRCYP2A6 | |
| SCHEMBL29463989 | 0.74 | HSD17B10 (0.46) | HSD17B10ALDH1A1TDP1TSHRCYP2A6 | |
| SCHEMBL5826353 | 0.74 | DAO (0.52) | ALDH1A1TDP1L3MBTL1MCL1CYP1A2 | |
| SCHEMBL21427613 | 0.72 | TDP1 (0.59) | HSD17B10ALDH1A1TDP1TSHRCYP2A6 | |
| SCHEMBL1619646 | 0.72 | TDP1 (0.70) | ALDH1A1TDP1L3MBTL1MCL1CYP1A2 |
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-2020119595-A1 | PHENOL SALT AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2020-06-18 | — | — | WO | disclosed |