Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | GAA | P10253 | 5/20 | 0.49 |
| ▸ | PLK4 | O00444 | 2/20 | 0.48 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.48 |
| ▸ | PRKCG | P05129 | 2/20 | 0.48 |
| ▸ | PIM1 | P11309 | 2/20 | 0.48 |
| ▸ | PHKG2 | P15735 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.48 |
| ▸ | AXL | P30530 | 2/20 | 0.48 |
| ▸ | AKT1 | P31749 | 2/20 | 0.48 |
| ▸ | AKT2 | P31751 | 2/20 | 0.48 |
| ▸ | SYK | P43405 | 2/20 | 0.48 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.48 |
| ▸ | CLK2 | P49760 | 2/20 | 0.48 |
| ▸ | GSK3A | P49840 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.48 |
| ▸ | NEK2 | P51955 | 2/20 | 0.48 |
| ▸ | PLK1 | P53350 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL602651 | 0.90 | GAA (0.55) | ALDH1A1GAAPLK4DAPK3MAP4K4 | |
| SCHEMBL1982679 | 0.85 | SMN1; SMN2 (0.44) | ALDH1A1GAAKMT2AMEN1LMNA | |
| SCHEMBL602696 | 0.83 | MAPT (0.45) | ALDH1A1GAAKMT2AALOX12MEN1 | |
| SCHEMBL604948 | 0.75 | GAA (0.45) | ALDH1A1GAALMNASMN1; SMN2KDM4E | |
| SCHEMBL602697 | 0.74 | SMN1; SMN2 (0.41) | ALDH1A1GAAKMT2AMEN1LMNA | |
| SCHEMBL14861729 | 0.73 | ALDH1A1 (0.51) | ALDH1A1GAAKMT2AALOX12MEN1 | |
| SCHEMBL10228105 | 0.72 | KMO (0.42) | ALDH1A1GAAKMT2AMEN1LMNA | |
| SCHEMBL602491 | 0.72 | MEN1 (0.44) | ALDH1A1GAAKMT2AALOX12MEN1 | |
| Hydrochloric Acid SCHEMBL604111 | 0.71 | KMO (0.41) | ALDH1A1GAAKMT2AMEN1LMNA | |
| SCHEMBL15383148 | 0.71 | CNR2 (0.48) | ALDH1A1GAAKMT2AMEN1LMNA |
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 14 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-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 |
| 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 |
| 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 | ALDH1A1 2105/4885GAA 1941/4885PLK4 3862/4885 |
| US-20130303505-A1 | TGR5 AGONISTS | GCGR, NPY5R, TBXA2R | ALDH1A1 3462/4885GAA 1198/4885PLK4 4251/4885 |
“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.