Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.55 |
| ▸ | CA1 | P00915 | 12/20 | 0.55 |
| ▸ | CA9 | Q16790 | 10/20 | 0.55 |
| ▸ | CA3 | P07451 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA5A | P35218 | 2/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4136925 | 0.80 | HDAC1 (0.40) | CA2CA1CA9CA3CA12 | |
| SCHEMBL1497205 | 0.80 | CA1 (0.59) | CA2CA1CA9CA3CA12 | |
| SCHEMBL14706960 | 0.78 | PTGS2 (0.46) | PTGS2 | |
| SCHEMBL22396634 | 0.76 | HDAC1 (0.42) | CA2CA1CA9CA12CA7 | |
| SCHEMBL603928 | 0.76 | CA2 (0.67) | CA2CA1CA9CA3CA12 | |
| SCHEMBL2011324 | 0.76 | CA2 (0.62) | CA2CA1CA9CA3CA12 | |
| SCHEMBL22168209 | 0.76 | CA2 (0.50) | CA2CA1CA9CA3CA12 | |
| SCHEMBL29407092 | 0.76 | CA2 (0.62) | CA2CA1CA9CA3CA12 | |
| SCHEMBL8764033 | 0.75 | CA2 (0.48) | CA2CA1CA9CA3CA12 | |
| SCHEMBL6732940 | 0.74 | PTGS2 (0.77) | PTGS1PTGS2 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3596059-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2024-04-24 | — | — | EP | disclosed |
| WO-2023159307-A1 | POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF | REPARE THERAPEUTICS INC. (CA) | 2023-08-31 | — | — | WO | disclosed |
| WO-2023109909-A1 | AROMATIC HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF | 上海翊石医药科技有限公司 | 2023-06-22 | — | — | WO | disclosed |
| CN-110392679-B | Heterocyclic compounds useful as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2023-04-07 | — | — | CN | disclosed |
| EP-3353178-B1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-07-14 | — | — | EP | disclosed |
| US-11059794-B2 | Heterocyclic compounds useful as dual ATX/CA inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2021-07-13 | — | — | US | disclosed |
| WO-2018167001-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-09-20 | — | — | WO | 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-8846739-B2 | TGR5 agonists | EXELIXIS PATENT COMPANY LLC (US) | 2014-09-30 | — | — | 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-2183224-B1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO SA (CH) | 2013-11-06 | — | — | EP | 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-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 (3 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 | CA2 3033/4885CA1 4670/4885CA9 3413/4885 |
| US-20130303505-A1 | TGR5 AGONISTS | GCGR, NPY5R, TBXA2R | CA2 3353/4885CA1 4767/4885CA9 3804/4885 |
| US-11059794-B2 | Heterocyclic compounds useful as dual ATX/CA inhibitors | ATXN2, ATXN2L, ATXN10 | CA2 252/4885CA1 983/4885CA9 1176/4885 |
“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.