Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | PDE4A | P27815 | 3/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13333224 | 0.87 | CASP1 (0.44) | CASP1HSD17B10L3MBTL1CYP3A4PDE4A | |
| SCHEMBL30036778 | 0.87 | CASP1 (0.44) | CASP1HSD17B10L3MBTL1CYP3A4PDE4A | |
| SCHEMBL28826217 | 0.86 | L3MBTL1 (0.49) | CASP1HSD17B10L3MBTL1CYP3A4PDE4A | |
| SCHEMBL26376686 | 0.85 | CASP1 (0.43) | CASP1HSD17B10L3MBTL1CYP3A4DHODH | |
| SCHEMBL31363414 | 0.84 | ALDH1A1 (0.48) | CASP1HSD17B10L3MBTL1CYP3A4DHODH | |
| SCHEMBL2817207 | 0.84 | ALDH1A1 (0.48) | CASP1HSD17B10L3MBTL1CYP3A4DHODH | |
| SCHEMBL602520 | 0.84 | CASP1 (0.42) | CASP1HSD17B10L3MBTL1CYP3A4DHODH | |
| SCHEMBL12987585 | 0.84 | KIF11 (0.43) | CASP1HSD17B10L3MBTL1PDE4APDE4D | |
| SCHEMBL11266487 | 0.84 | CYP3A4 (0.44) | CASP1HSD17B10L3MBTL1CYP3A4PDE4A | |
| SCHEMBL3533730 | 0.84 | CASP1 (0.42) | CASP1HSD17B10L3MBTL1CYP3A4DHODH |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8785488-B2 | Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity | EXELIXIS PATENT COMPANY LLC (US) | 2014-07-22 | — | — | US | disclosed |
| US-8785488-B2 | Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity | EXELIXIS PATENT COMPANY LLC (US) | 2014-07-22 | — | — | US | disclosed |
| WO-2013054338-A1 | 2-THIO-IMIDAZOLE DERIVATIVES AS TGR5 MODULATORS | CADILA HEALTHCARE LIMITED (IN) | 2013-04-18 | — | — | WO | disclosed |
| WO-2013054338-A1 | 2-THIO-IMIDAZOLE DERIVATIVES AS TGR5 MODULATORS | CADILA HEALTHCARE LIMITED (IN) | 2013-04-18 | — | — | WO | disclosed |
| US-20120040985-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS PATENT COMPANY LLC (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040985-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS PATENT COMPANY LLC (US) | 2012-02-16 | — | — | US | disclosed |
| EP-2396304-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | Exelixis, Inc. (US) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010093845-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS, INC. (US) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010093845-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS, INC. (US) | 2010-08-19 | — | — | WO | disclosed |
| EP-1046635-B1 | Process for preparing an aromatic compound substituted by a tertiary nitrile | PFIZER PROD INC (US) | 2004-12-29 | — | — | EP | disclosed |
| EP-1186601-B1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMA CO LTD (JP) | 2004-03-24 | — | — | EP | disclosed |
| CN-1138756-C | Preparation of tirt nitrile substituted aromatic compound | �Ʒ� | 2004-02-18 | — | — | CN | disclosed |
| US-6573279-B1 | Drug, particularly to a novel isoquinoline derivative or its salt having an If current inhibitory effect without serious side effects such as convulsion and also to a drug, particularly a cardiac rate lowering agent, containing the | ASTELLAS PHARMA INC. (JP) | 2003-06-03 | — | — | US | disclosed |
| EP-1186601-A1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2002-03-13 | — | — | EP | disclosed |
| US-6303782-B1 | TREATING A FLUORINE-SUBSTITUTED AROMATIC COMPOUND WITH A SECONDARY NITRILE IN THE PRESENCE OF A BASE | PFIZER INC | 2001-10-16 | — | — | US | disclosed |
| EP-1046635-A1 | Process for preparing an aromatic compound substituted by a tertiary nitrile | Pfizer Products Inc. (US) | 2000-10-25 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120040985-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | GPR119, GLP1R, GCGR | CASP1 1808/4885HSD17B10 1367/4885L3MBTL1 4174/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.