Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31292420 | 0.87 | LMNA (0.50) | CNR2CNR1AKR1C3AKR1C2 | |
| SCHEMBL603406 | 0.85 | AKR1C3 (0.57) | AKR1C3AKR1C2 | |
| SCHEMBL601612 | 0.85 | AKR1C3 (0.43) | AKR1C3AKR1C2BACE1 | |
| SCHEMBL5493759 | 0.85 | CNR1 (0.51) | CNR2CNR1 | |
| SCHEMBL7472692 | 0.85 | CNR1 (0.51) | CNR2CNR1AKR1C3AKR1C2 | |
| SCHEMBL31560844 | 0.83 | CNR1 (0.54) | CNR2CNR1AKR1C3AKR1C2 | |
| SCHEMBL15456896 | 0.81 | ALDH1A1 (0.50) | CNR2CNR1 | |
| SCHEMBL15383148 | 0.81 | CNR2 (0.48) | CNR2CNR1GRM4 | |
| SCHEMBL4677036 | 0.81 | CNR2 (0.48) | CNR2CNR1 | |
| SCHEMBL30108008 | 0.81 | CNR1 (0.48) | CNR2CNR1AKR1C3AKR1C2 |
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 18 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-8846739-B2 | TGR5 agonists | EXELIXIS PATENT COMPANY LLC (US) | 2014-09-30 | — | — | US | 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-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 |
| US-20130303505-A1 | TGR5 AGONISTS | EXELIXIS PATENT COMPANY LLC | 2013-11-14 | — | — | US | disclosed |
| US-20130303505-A1 | TGR5 AGONISTS | EXELIXIS PATENT COMPANY LLC | 2013-11-14 | — | — | 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 |
| 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-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | WO | 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 |
| 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 | CNR2 103/4885CNR1 77/4885AKR1C3 369/4885 |
| US-20130303505-A1 | TGR5 AGONISTS | GCGR, NPY5R, TBXA2R | CNR2 141/4885CNR1 93/4885AKR1C3 946/4885 |
“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.