Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.60 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12097450 | 0.86 | NOTUM (0.62) | NOTUMCNR1CES2CFTRCA12 | |
| SCHEMBL2324813 | 0.85 | CA12 (0.50) | NOTUMCA12CA1CA2CA7 | |
| SCHEMBL4599408 | 0.85 | CA12 (0.50) | NOTUMCA12CA1CA2CA7 | |
| SCHEMBL29659866 | 0.84 | NOTUM (0.60) | NOTUMCNR1CES2CFTRCA12 | |
| SCHEMBL21609843 | 0.84 | NOTUM (0.60) | NOTUMCNR1CES2CFTRCA12 | |
| SCHEMBL8051192 | 0.83 | NOTUM (0.59) | NOTUMCNR1CES2CFTRCA12 | |
| SCHEMBL475762 | 0.83 | NOTUM (0.77) | NOTUMCNR1CES2CFTRCA12 | |
| SCHEMBL1999038 | 0.83 | NOTUM (0.77) | NOTUMCNR1CES2CFTRCA12 | |
| SCHEMBL3601186 | 0.82 | NOTUM (0.57) | NOTUMCNR1CES2CFTRCA12 | |
| SCHEMBL21609873 | 0.82 | NOTUM (0.57) | NOTUMCNR1CES2CFTRCA12 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10385022-B2 | 3-amino-pyridines as GPBAR1 agonists | HOFFMANN-LA ROCHE INC. (US) | 2019-08-20 | — | — | US | disclosed |
| EP-2834226-B1 | 1,2-PYRIDAZINE, 1,6-PYRIDAZINE OR PYRIMIDINE-BENZAMIDE DERIVATIVES AS GPBAR1 MODULATORS | HOFFMANN LA ROCHE (CH) | 2016-05-25 | — | — | EP | disclosed |
| CN-103415507-B | As the 3-amino-pyridine class of GPBAR1 agonist | HOFFMAN-LA ROCHE LTD. (CH) | 2016-03-02 | — | — | CN | disclosed |
| US-20150152058-A1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | HOFFMANN-LA ROCHE INC. | 2015-06-04 | — | — | US | disclosed |
| EP-2681194-B1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | HOFFMANN LA ROCHE (CH) | 2015-04-15 | — | — | EP | disclosed |
| US-8987307-B2 | 3-amino-pyridines as GPBAR1 agonists | HOFFMANN-LA ROCHE INC. (US) | 2015-03-24 | — | — | US | disclosed |
| EP-2834226-A1 | 1,2- PYRIDAZINE, 1,6- PYRIDAZINE OR PYRIMIDINE - BENZAMIDE DERIVATIVES AS GPBAR1 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2015-02-11 | — | — | EP | disclosed |
| CN-104203935-A | 1,2- pyridazine, 1,6- pyridazine or pyrimidine - benzamide derivatives as GPBAR1 modulators | HOFFMANN LA ROCHE | 2014-12-10 | — | — | CN | disclosed |
| US-8748434-B2 | 1,2-pyridazines, 1,6-pyridazines and pyrimidines | ROCHE PALO ALTO LLC (US) | 2014-06-10 | — | — | US | disclosed |
| EP-2681194-A1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-08 | — | — | EP | disclosed |
| CN-103415507-A | 3-amino-pyridines as GPBAR1 agonists | HOFFMANN LA ROCHE | 2013-11-27 | — | — | CN | disclosed |
| US-20130267519-A1 | 1,2-PYRIDAZINES, 1,6-PYRIDAZINES AND PYRIMIDINES | HOFFMANN-LA ROCHE INC. (US) | 2013-10-10 | — | — | US | disclosed |
| WO-2013149977-A1 | 1,2- PYRIDAZINE, 1,6- PYRIDAZINE OR PYRIMIDINE - BENZAMIDE DERIVATIVES AS GPBAR1 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-10-10 | — | — | WO | disclosed |
| US-20120232051-A1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | HOFFMANN-LA ROCHE INC. | 2012-09-13 | — | — | US | disclosed |
| WO-2012117000-A1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-07 | — | — | WO | disclosed |
| US-20100087432-A1 | PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY | NOVARTIS AG (CH) | 2010-04-08 | — | — | US | disclosed |
| EP-1828172-B1 | PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY | NOVARTIS AG (CH) | 2009-11-25 | — | — | EP | 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 (5 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-10385022-B2 | 3-amino-pyridines as GPBAR1 agonists | GPBAR1, ADRA1B, GPR119 | NOTUM 4641/4885CNR1 38/4885CES2 3332/4885 |
| US-20120232051-A1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | GPBAR1, ADRA1B, GPR119 | NOTUM 4641/4885CNR1 38/4885CES2 3332/4885 |
| US-20100087432-A1 | PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY | PRLHR, AVPR2, CRHR2 | NOTUM 2466/4885CNR1 77/4885CES2 3374/4885 |
| US-20150152058-A1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | GPBAR1, ADRA1B, GPR119 | NOTUM 4641/4885CNR1 38/4885CES2 3332/4885 |
| US-20130267519-A1 | 1,2-PYRIDAZINES, 1,6-PYRIDAZINES AND PYRIMIDINES | GPBAR1, P2RY1, P2RY2 | NOTUM 4681/4885CNR1 44/4885CES2 3612/4885 |
“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.