Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 3/20 | 0.32 |
| ▸ | PGK2 | P07205 | 3/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL28811524 | 0.77 | ACHE (0.56) | TSHRCYP3A4ALDH1A1ESR1KDM4E | |
| Ethylene Glycol SCHEMBL1021415 | 0.76 | TSHR (0.42) | TSHRCYP3A4MAPK1ALDH1A1ESR1 | |
| Methyl Alcohol SCHEMBL28097701 | 0.71 | ALDH1A1 (0.47) | TSHRALDH1A1 | |
| Methyl Alcohol SCHEMBL21899428 | 0.71 | CYP3A4 (0.50) | TSHRCYP3A4MAPK1ALDH1A1KDM4E | |
| Ethane SCHEMBL11686899 | 0.71 | ALDH1A1 (0.47) | TSHRALDH1A1 | |
| SCHEMBL39444 | 0.71 | TSHR (0.57) | TSHRCYP3A4MAPK1ALDH1A1KDM4E | |
| SCHEMBL8613971 | 0.71 | ALDH1A1 (0.54) | TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL157380 | 0.71 | ALDH1A1 (0.54) | TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL8109982 | 0.71 | TSHR (0.57) | TSHRCYP3A4MAPK1ALDH1A1KDM4E | |
| SCHEMBL29012032 | 0.71 | ALDH1A1 (0.54) | TSHRCYP3A4MAPK1ALDH1A1 |
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-103772155-A | AB2 monomer and series of fluoro end group hyperbranched polyphenyl ether prepared from AB2 monomer, as well as preparation method of AB2 monomer and fluoro end group hyperbranched polyphenyl ether | UNIV BEIJING CHEMICAL | 2014-05-07 | — | — | CN | disclosed |