Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CEL | P19835 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | EBP | Q15125 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 7/20 | 0.32 |
| ▸ | PTGDR | Q13258 | 4/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL456075 | 0.90 | TP53 (0.33) | TP53RECQL | |
| SCHEMBL7405350 | 0.85 | CEL (0.40) | CELSIGMAR1TMEM97EBPPTGDR2 | |
| SCHEMBL5092432 | 0.82 | CEL (0.35) | CELPTGDR2TDO2PDCD1CD274 | |
| SCHEMBL23071353 | 0.82 | CEL (0.35) | CELPTGDR2TDO2PDCD1CD274 | |
| SCHEMBL23071387 | 0.82 | CEL (0.35) | CELPTGDR2TDO2PDCD1CD274 | |
| SCHEMBL23071366 | 0.79 | CEL (0.33) | CELTDO2 | |
| SCHEMBL7398897 | 0.78 | TDO2 (0.39) | CELTDO2PDCD1CD274 | |
| SCHEMBL3773179 | 0.78 | ESR1 (0.41) | CYP2D6 | |
| SCHEMBL435186 | 0.77 | OPRL1 (0.33) | CELPTGDR2TDO2PDCD1CD274 | |
| SCHEMBL14856107 | 0.77 | NUDT1 (0.39) | CELPTGDR2TDO2PDCD1CD274 |
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-102066316-A | Novel compounds derived from taurine, process for their preparation and pharmaceutical compositions containing them | EMS SA | 2011-05-18 | — | — | CN | claimed |
| US-4894471-A | Continuous process for the alkylation of CH-acid compounds with alkyl carbonates in gas-liquid phase transfer catalysis-conditions | CONSIGLIO NAZIONALE DELLE RICHERCHE (IT) | 1990-01-16 | — | — | US | claimed |
| EP-2595985-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| EP-2595984-A1 | MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010568-A1 | MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012010567-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2002006238-A1 | CYCLOALKYL - OR CYCLOALKYLMETHYL-SUBSTITUTED 6-PHENYLPHENANTHRIDINES | ALTANA PHARMA AG (DE) | 2002-01-24 | — | — | WO | disclosed |
| WO-1999050207-A1 | METHOD FOR PREPARING 2-CHLORO-1-CYCLOHEXYL-4-ETHYNYLBENZENE | SANOFI-SYNTHELABO (FR) | 1999-10-07 | — | — | WO | disclosed |
| US-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |
| EP-0024282-A1 | Benzoyl derivatives, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |