Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 4/20 | 0.34 |
| ▸ | CES1 | P23141 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.32 |
| ▸ | PPARG | P37231 | 6/20 | 0.32 |
| ▸ | PPARD | Q03181 | 6/20 | 0.32 |
| ▸ | PPARA | Q07869 | 6/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1220599 | 0.81 | SPHK2 (0.41) | TSHRALDH1A1SPHK2SPHK1CES2 | |
| SCHEMBL1220600 | 0.81 | SPHK2 (0.41) | TSHRALDH1A1SPHK2SPHK1CES2 | |
| SCHEMBL28525818 | 0.80 | CES2 (0.46) | TSHRALDH1A1SPHK2SPHK1CES2 | |
| SCHEMBL13768100 | 0.80 | CES1 (0.42) | TSHRALDH1A1CES2CES1MEN1 | |
| SCHEMBL14036579 | 0.78 | CES2 (0.40) | TSHRALDH1A1CES2CES1MEN1 | |
| SCHEMBL23389010 | 0.76 | CES2 (0.39) | TSHRALDH1A1SPHK2SPHK1CES2 | |
| SCHEMBL13121532 | 0.76 | CES2 (0.42) | TSHRALDH1A1SPHK2SPHK1CES2 | |
| SCHEMBL24248244 | 0.75 | — | — | |
| SCHEMBL23388960 | 0.74 | CES2 (0.41) | TSHRALDH1A1SPHK2SPHK1CES2 | |
| SCHEMBL23388984 | 0.74 | CES2 (0.41) | TSHRALDH1A1SPHK2SPHK1CES2 |
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-102718712-B | Preparation method of 3-difluoro-methyl pyrazole-4-carboxylic acid and 3-trifluoro-methyl pyrazole-4-carboxylic acid | JIANGSU WEIER CHEMICAL CO LTD | 2015-04-29 | — | — | CN | disclosed |