Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.39 |
| ▸ | CA2 | P00918 | 11/20 | 0.39 |
| ▸ | CA9 | Q16790 | 6/20 | 0.39 |
| ▸ | CA4 | P22748 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 6/20 | 0.38 |
| ▸ | CA7 | P43166 | 6/20 | 0.38 |
| ▸ | CA6 | P23280 | 5/20 | 0.38 |
| ▸ | CA5A | P35218 | 5/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.38 |
| ▸ | CA3 | P07451 | 4/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 0.38 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27864489 | 0.87 | PTGES2 (0.37) | CA1CA2CA9CA4CA12 | |
| SCHEMBL7181960 | 0.84 | CA1 (0.53) | CA1CA2CA9CA4CA12 | |
| SCHEMBL602969 | 0.83 | CA2 (0.40) | CA1CA2CA9CA4CA12 | |
| SCHEMBL2777644 | 0.79 | CA1 (0.47) | CA1CA2CA9CA4CA12 | |
| SCHEMBL28490129 | 0.77 | KDM1A (0.38) | — | |
| SCHEMBL2777246 | 0.77 | CA2 (0.46) | CA1CA2CA9CA4CA12 | |
| SCHEMBL18152704 | 0.75 | CA2 (0.38) | CA1CA2CA9CA4CA12 | |
| SCHEMBL30030017 | 0.75 | DPP4 (0.33) | LMNA | |
| SCHEMBL14774772 | 0.75 | DPP4 (0.33) | LMNA | |
| SCHEMBL2777121 | 0.74 | CA2 (0.46) | CA1CA2CA9CA4CA12 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 (2 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 | CA1 4670/4885CA2 3033/4885CA9 3413/4885 |
| US-20130303505-A1 | TGR5 AGONISTS | GCGR, NPY5R, TBXA2R | CA1 4767/4885CA2 3353/4885CA9 3804/4885 |
“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.