Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 5/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 3/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10401089 | 0.80 | ALDH1A1 (0.52) | ESR1ESR2ALDH1A1CYP3A4ALOX5 | |
| SCHEMBL27691037 | 0.76 | AR (0.35) | KCNN4ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL621593 | 0.75 | ESR2 (0.40) | KCNN4ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL28298652 | 0.73 | KCNN4 (0.37) | KCNN4ALDH1A1KCNE1KCNQ1 | |
| SCHEMBL2638933 | 0.73 | ESR1 (0.58) | ESR1ESR2ALDH1A1CYP3A4KIF11 | |
| Hydrogen Sulfide SCHEMBL28109666 | 0.73 | KCNN4 (0.50) | KCNN4ALDH1A1KIF11KCNE1KCNQ1 | |
| SCHEMBL156681 | 0.73 | KIF11 (0.53) | ALDH1A1KIF11NR1I2LMNACYP2C9 | |
| SCHEMBL30977609 | 0.73 | KIF11 (0.53) | ALDH1A1KIF11NR1I2LMNACYP2C9 | |
| SCHEMBL23861361 | 0.72 | ALOX5 (0.47) | ESR1ESR2ALDH1A1CYP3A4ALOX5 | |
| SCHEMBL17696932 | 0.71 | HSD17B10 (0.40) | ESR1ESR2ALDH1A1CYP3A4KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005225814-A | METHOD FOR DISTILLING 4-FLUORO-3-TRIFLUOROMETHYLPHENOL | UBE IND LTD | 2005-08-25 | — | — | JP | disclosed |