Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 14/20 | 1.00 |
| ▸ | CNR2 | P34972 | 10/20 | 0.66 |
| ▸ | RPA1 | P27694 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.64 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.64 |
| ▸ | MLNR | O43193 | 1/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.64 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.64 |
| ▸ | DRD1 | P21728 | 1/20 | 0.64 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | HRH2 | P25021 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.64 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.64 |
| ▸ | CCKAR | P32238 | 1/20 | 0.64 |
| ▸ | CCKBR | P32239 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL4613969 | 0.95 | CNR1 (0.90) | CNR1CNR2RPA1CYP2C9GPR55 | |
| SCHEMBL5154664 | 0.94 | CNR1 (0.88) | CNR1CNR2RPA1CYP2C9GPR55 | |
| SCHEMBL14155480 | 0.91 | CNR1 (0.83) | CNR1CNR2 | |
| SCHEMBL14155477 | 0.90 | CNR1 (0.81) | CNR1CNR2RPA1 | |
| SCHEMBL3087783 | 0.85 | CNR1 (0.73) | CNR1CNR2CYP2C9GPR55ABCC4 | |
| SCHEMBL3816611 | 0.84 | CNR1 (0.71) | CNR1CNR2CYP2C9GPR55ABCC4 | |
| SCHEMBL3087784 | 0.83 | CNR1 (0.71) | CNR1CNR2CYP2C9GPR55ABCC4 | |
| SCHEMBL7351242 | 0.81 | CNR1 (0.68) | CNR1RPA1LMNAMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL9155041 | 0.81 | CNR1 (0.67) | CNR1RPA1LMNAMAPTMEN1 | |
| SCHEMBL17203783 | 0.80 | CNR1 (0.67) | CNR1CNR2RPA1LMNAMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1743637-A1 | Use of substituted pyrazole compounds and combinations thereof for the treatment of the metabolic syndrome | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | claimed |
| WO-2014174457-A1 | PYRAZOLE CARBOXYLIC ACID ANALOGUES AS ANTI-MYCOBACTERIAL DRUG CANDIDATES | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2014-10-30 | — | — | WO | disclosed |
| WO-2014174457-A1 | PYRAZOLE CARBOXYLIC ACID ANALOGUES AS ANTI-MYCOBACTERIAL DRUG CANDIDATES | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2014-10-30 | — | — | WO | disclosed |
| WO-2007017125-A1 | CB1 ANTAGONISTS OR INVERSE ANTAGONISTS AS THERAPEUTICAL AGENTS FOR THE TREATMENT OF INFLAMMATION INVOLVING GENE EXPRESSION | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-02-15 | — | — | WO | disclosed |
| EP-1752149-A1 | CB1 Antagonists or inverse agonists as therapeutical agents for the treatment of inflammation involving gene expression | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-02-14 | — | — | EP | disclosed |
| EP-1743637-A1 | Use of substituted pyrazole compounds and combinations thereof for the treatment of the metabolic syndrome | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | disclosed |