Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 4/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.38 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAD1 | O60671 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25268577 | 0.86 | NAAA (0.46) | NAAAHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL76835 | 0.83 | HTR3E (0.53) | P2RY6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL15987971 | 0.82 | CYP3A4 (0.46) | AMY1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6179404 | 0.80 | P2RY6 (0.38) | P2RY6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL25226399 | 0.79 | P2RY6 (0.35) | P2RY6MIFPNMTRAD1KDM4E | |
| SCHEMBL25229168 | 0.79 | P2RY6 (0.35) | NAAAP2RY6MIFPNMTRAD1 | |
| SCHEMBL1119953 | 0.79 | NAAA (0.35) | NAAAHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL960660 | 0.79 | MAPT (0.39) | P2RY6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1170171 | 0.77 | P2RY6 (0.45) | P2RY6MIFPNMTEGFRRAD1 | |
| SCHEMBL4084759 | 0.77 | P2RY6 (0.45) | P2RY6MIFPNMTEGFRRAD1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10077241-B2 | Tetrahydro-benzoimidazolyl modulators of TGR5 | JANSEN PHARMACEUTICA NV (BE) | 2018-09-18 | — | — | US | disclosed |
| US-20170029381-A1 | TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 | JANSSEN PHARMACEUTICA NV (BE) | 2017-02-02 | — | — | US | disclosed |
| WO-2015160772-A1 | TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-22 | — | — | WO | disclosed |
| US-8846739-B2 | TGR5 agonists | EXELIXIS PATENT COMPANY LLC (US) | 2014-09-30 | — | — | 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 |
| US-20130303505-A1 | TGR5 AGONISTS | EXELIXIS PATENT COMPANY LLC | 2013-11-14 | — | — | US | disclosed |
| EP-2509960-A1 | TGR5 AGONISTS | Exelixis, Inc. (US) | 2012-10-17 | — | — | EP | 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-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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-10077241-B2 | Tetrahydro-benzoimidazolyl modulators of TGR5 | GLRA1, GRM5, TRHR | NAAA 3705/4885AMY1A 3921/4885P2RY6 1080/4885 |
| US-20170029381-A1 | TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 | GLRA1, GRM5, TRHR | NAAA 3705/4885AMY1A 3921/4885P2RY6 1080/4885 |
| US-20120040985-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | GPR119, GLP1R, GCGR | NAAA 2293/4885AMY1A 1335/4885P2RY6 466/4885 |
| US-20130303505-A1 | TGR5 AGONISTS | GCGR, NPY5R, TBXA2R | NAAA 3152/4885AMY1A 1208/4885P2RY6 192/4885 |
“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.