Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TTR | P02766 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 8/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28099025 | 0.79 | TYR (0.37) | HSD17B10ESR1CYP3A4CYP2C9CA12 | |
| SCHEMBL67991 | 0.76 | HSD17B10 (0.56) | HSD17B10TTRESR1CYP3A4CYP2C9 | |
| SCHEMBL1403756 | 0.76 | PDE7A (0.53) | HSD17B10CYP3A4CYP2C9CA1CA2 | |
| SCHEMBL30875154 | 0.76 | PDE7A (0.53) | HSD17B10CYP3A4CYP2C9CA1CA2 | |
| SCHEMBL12828097 | 0.76 | CYP3A4 (0.36) | HSD17B10CYP3A4CYP2C9PDK1PDK2 | |
| SCHEMBL19617371 | 0.76 | ESR2 (0.33) | ESR1ESR2 | |
| SCHEMBL28229195 | 0.76 | PDE2A (0.30) | ESR1ESR2 | |
| SCHEMBL9694900 | 0.76 | ESR2 (0.37) | ESR1CYP3A4ESR2FFAR4 | |
| SCHEMBL10890165 | 0.76 | HSD17B10 (0.42) | HSD17B10TTRESR1CYP3A4CA12 | |
| SCHEMBL14950656 | 0.74 | HSD17B10 (0.41) | HSD17B10TTRESR1CYP3A4ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104945304-B | Trifluoromethylthio aromatic hydrocarbons or heteroaryl hydrocarbon compound and preparation method thereof | 深圳市中科邦奇氟医学材料有限公司 | 2018-08-03 | — | — | CN | disclosed |