Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 3/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CCNK | O75909 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2709790 | 1.00 | HCAR3 (0.56) | HCAR3CYP11B1CYP11B2KCNQ3KCNQ2 | |
| SCHEMBL18307123 | 0.91 | HCAR3 (0.57) | HCAR3CYP11B1CYP11B2PDE10AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL2714193 | 0.86 | HCAR3 (0.55) | HCAR3KCNQ3KCNQ2MALT1CCR6 | |
| SCHEMBL27252079 | 0.85 | HCAR3 (0.43) | HCAR3CYP11B1CYP11B2 | |
| SCHEMBL27251863 | 0.85 | HCAR3 (0.43) | HCAR3CYP11B1CYP11B2 | |
| SCHEMBL29310695 | 0.85 | HCAR3 (0.43) | HCAR3CYP11B1CYP11B2KCNQ3KCNQ2 | |
| SCHEMBL30827678 | 0.85 | HCAR3 (0.43) | HCAR3CYP11B1CYP11B2 | |
| SCHEMBL27363570 | 0.85 | SYK (0.45) | HCAR3CCR6 | |
| SCHEMBL30825860 | 0.82 | HCAR3 (0.41) | HCAR3CYP11B1CYP11B2KCNQ3KCNQ2 | |
| SCHEMBL31456728 | 0.82 | KDM4E (0.44) | HCAR3CYP11B1CYP11B2CDK2ALDH1A1 |
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-1930144-A | 3-'4-heterocyclyl -1,2,3,-triazol-1-yl!-n-aryl-benzamides as inhibitors of the cytokines production for the treatment of chronic inflammatory diseases | BOEHRINGER INGELHEIM PHARMA (US) | 2007-03-14 | — | — | CN | disclosed |