Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL28272544 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRTRPA1CACNA2D1CACNB3 | |
| SCHEMBL95766 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TRPA1CA2 | |
| SCHEMBL1100858 | 0.83 | — | — | |
| SCHEMBL8534173 | 0.82 | TSHR (0.43) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL14646731 | 0.82 | TSHR (0.40) | ALDH1A1TSHRMAPK1ALOX15CACNA2D1 | |
| SCHEMBL18871788 | 0.82 | ALDH1A1 (0.36) | ALDH1A1TSHRALOX15TRPA1 | |
| SCHEMBL10437273 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRTRPA1CA2 | |
| SCHEMBL1668244 | 0.81 | TSHR (0.42) | ALDH1A1TSHRMAPK1ALOX15TRPA1 | |
| SCHEMBL26076 | 0.80 | — | — | |
| SCHEMBL4891349 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TSHRCA2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105517997-A | Tetrahydrofuran derivatives and their use as plasticizers | BASF SE | 2016-04-20 | — | — | CN | disclosed |
| CN-104822648-A | Method for producing cyclohexanecarboxylic acid derivatives with low proportion of by-products | BASF SE | 2015-08-05 | — | — | CN | disclosed |
| CN-104797695-A | Use of polyesters as lubricants | BASF SE | 2015-07-22 | — | — | CN | disclosed |
| CN-102471663-B | Adhesives and sealants containing cyclohexane polycarboxylic acid derivatives | BASF SE | 2015-04-08 | — | — | CN | disclosed |
| CN-102239198-B | Cyclohexane polycarboxylic acid derivatives as plasticizers for adhesives and sealants | BASF SE | 2015-01-21 | — | — | CN | disclosed |
| CN-102224116-B | Use of polyols and cyclohexane polycarboxylic acid derivatives for the removal of dust from chemical construction products | CONSTR RES & TECH GMBH | 2014-07-02 | — | — | CN | disclosed |
| CN-102471663-A | Adhesives and sealants containing cyclohexane polycarboxylic acid derivatives | BASF SE | 2012-05-23 | — | — | CN | disclosed |
| CN-102239198-A | Cyclohexane polycarboxylic acid derivatives as plasticizers for adhesives and sealants | BASF SE | 2011-11-09 | — | — | CN | disclosed |
| CN-101925571-A | Mixtures of diisononyl terephthalates, method for the production thereof and use thereof | EVONIK OXENO GMBH | 2010-12-22 | — | — | CN | disclosed |
| CN-1170794-C | Process for fractionation of dibutene | 奥克森诺奥勒芬化学股份有限公司 | 2004-10-13 | — | — | CN | disclosed |