Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 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 | |
|---|---|---|---|---|
| SCHEMBL27611662 | 0.89 | TSHR (0.50) | TSHRTHRBEPHX2MEN1KMT2A | |
| SCHEMBL27959502 | 0.82 | ALOX5 (0.43) | TSHRMEN1KMT2ACYP3A4PTGS2 | |
| SCHEMBL21663934 | 0.79 | ALOX5 (0.43) | TSHRMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL41646 | 0.78 | CA1 (0.43) | ALDH1A1 | |
| SCHEMBL5716558 | 0.76 | DNM1 (0.34) | THRBEPHX2DNM1TDP1 | |
| Methylamine SCHEMBL27737724 | 0.76 | CA1 (0.43) | ALDH1A1 | |
| Methyl Alcohol SCHEMBL27510918 | 0.76 | CA1 (0.43) | MEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL8067639 | 0.75 | L3MBTL1 (0.42) | THRBESR1TDP1 | |
| SCHEMBL1582596 | 0.75 | THRA (0.41) | TSHRTHRBESR1AKR1C4AKR1C3 | |
| SCHEMBL12256271 | 0.75 | THRA (0.41) | TSHRTHRBESR1AKR1C4AKR1C3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102020553-B | P-alkyl group substituted-4-fluorophenylacetic acid, synthesis method and application thereof | Shanghai tianwen chemical co ltd | 2013-10-30 | — | — | CN | disclosed |
| CN-102031120-B | Fluorine-containing liquid crystal of 4-(2,3,5,6-tetrafluo-R substituent phenethyl) benzoic acid-4'-fluo-4-biphenyl ester | Shanghai tianwen chemical co ltd | 2013-07-10 | — | — | CN | disclosed |
| CN-102031120-A | Fluorine-containing liquid crystal of 4-(2,3,5,6-tetrafluo-R substituent phenethyl) benzoic acid-4'-fluo-4-biphenyl ester | Shanghai tianwen chemical co ltd | 2011-04-27 | — | — | CN | disclosed |
| CN-102020553-A | P-alkyl group substituted-4-fluorophenylacetic acid, synthesis method and application thereof | Shanghai tianwen chemical co ltd | 2011-04-20 | — | — | CN | disclosed |