Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL26914633 | 0.93 | CSNK1E (0.55) | TRPA1KCNH2CSNK1ETRPV1HTR2A | |
| SCHEMBL1678684 | 0.93 | TRPA1 (0.58) | TRPA1KCNH2CSNK1ETRPV1SIGMAR1 | |
| SCHEMBL19511634 | 0.93 | TRPA1 (0.49) | TRPA1KCNH2CSNK1EHTR2ASIGMAR1 | |
| SCHEMBL1678631 | 0.91 | TRPA1 (0.55) | TRPA1KCNH2CSNK1ETRPV1SIGMAR1 | |
| SCHEMBL19682101 | 0.91 | TRPA1 (0.67) | TRPA1TRPV1SIGMAR1 | |
| SCHEMBL9279770 | 0.89 | CSNK1E (0.55) | TRPA1KCNH2CSNK1ETRPV1SIGMAR1 | |
| SCHEMBL5806424 | 0.89 | CSNK1E (0.55) | TRPA1KCNH2CSNK1ETRPV1SIGMAR1 | |
| SCHEMBL10451596 | 0.89 | CSNK1E (0.55) | TRPA1KCNH2CSNK1ETRPV1SIGMAR1 | |
| SCHEMBL6930924 | 0.89 | CYP1A2 (0.47) | TRPA1CSNK1ESIGMAR1 | |
| Hydrocinnamyl Alcohol SCHEMBL28846631 | 0.88 | CSNK1E (0.51) | TRPA1KCNH2CSNK1ETRPV1HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004035530-A2 | METHOD FOR THE PRODUCTION OF ALKYLARYL SULFONATES | BASF AKTIENGESELLSCHAFT (DE) | 2004-04-29 | — | — | WO | disclosed |