Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 5/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL602689 | 0.89 | GPBAR1 (0.46) | GPBAR1ALDH1A1KDM4ETP53GLA | |
| SCHEMBL601145 | 0.84 | GPBAR1 (0.45) | GPBAR1ALDH1A1KDM4ETP53GLA | |
| SCHEMBL602003 | 0.83 | GPBAR1 (0.42) | GPBAR1ALDH1A1KDM4ETP53GLA | |
| SCHEMBL601955 | 0.83 | GPBAR1 (0.38) | GPBAR1ALDH1A1KDM4ETP53GLA | |
| SCHEMBL603894 | 0.83 | GPBAR1 (0.45) | GPBAR1ALDH1A1KDM4ETP53GLA | |
| SCHEMBL604262 | 0.83 | GPBAR1 (0.43) | GPBAR1 | |
| SCHEMBL604912 | 0.82 | GPBAR1 (0.42) | GPBAR1ALDH1A1KDM4ETP53GLA | |
| SCHEMBL604585 | 0.82 | GPBAR1 (0.51) | GPBAR1 | |
| SCHEMBL603223 | 0.82 | GPBAR1 (0.51) | GPBAR1 | |
| SCHEMBL603033 | 0.82 | GPBAR1 (0.42) | GPBAR1ALDH1A1KDM4ETP53GLA |
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-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 | claimed |
| 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 | claimed |
| 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-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 |
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 | GPBAR1 8/4885ALDH1A1 2105/4885KDM4E 2795/4885 |
“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.