Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL988670 | 0.85 | ESR1 (0.46) | ESR1ESR2TSHRACHENR1H2 | |
| SCHEMBL989100 | 0.81 | TRPA1 (0.38) | TRPA1ATMTSHRACHELMNA | |
| SCHEMBL8441760 | 0.80 | ESR1 (0.39) | ESR1ESR2NR1H2NR1H3 | |
| SCHEMBL1314990 | 0.80 | TRPA1 (0.34) | ESR1ESR2TRPA1ATMTSHR | |
| SCHEMBL12191049 | 0.79 | ESR1 (0.54) | ESR1ESR2TSHRACHENR1H2 | |
| SCHEMBL15107532 | 0.79 | TRPA1 (0.33) | TRPA1ATMTSHRACHESMN1; SMN2 | |
| SCHEMBL1315179 | 0.78 | TRPA1 (0.35) | TRPA1ATMTSHRACHELMNA | |
| SCHEMBL1316141 | 0.78 | TRPA1 (0.35) | TRPA1ATMTSHRACHELMNA | |
| SCHEMBL4957410 | 0.76 | TRPA1 (0.34) | TRPA1ATMTSHRACHELMNA | |
| SCHEMBL29085715 | 0.76 | TRPA1 (0.31) | TRPA1ATMTSHRACHENPC1 |
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-108676604-A | A kind of phenyl-fluoride silicon grease and preparation method thereof | 天津大学 | 2018-10-19 | — | — | CN | disclosed |