Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | RPA1 | P27694 | 1/20 | 0.35 |
| ▸ | ESRRA | P11474 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2001185 | 1.00 | GRM5 (0.46) | GRM5ALDH1A1L3MBTL1LMNATP53 | |
| SCHEMBL3115514 | 1.00 | GRM5 (0.46) | GRM5ALDH1A1L3MBTL1LMNATP53 | |
| SCHEMBL2893451 | 0.84 | GRM5 (0.47) | GRM5ALDH1A1LMNAMAPTIDO1 | |
| SCHEMBL2893322 | 0.84 | MPO (0.35) | GRM5ALDH1A1MGLL | |
| SCHEMBL2893471 | 0.84 | GRM5 (0.47) | GRM5ALDH1A1LMNAMAPTIDO1 | |
| SCHEMBL2893177 | 0.84 | GRM5 (0.47) | GRM5ALDH1A1LMNAMAPTIDO1 | |
| SCHEMBL2893686 | 0.82 | GRM5 (0.42) | GRM5ALDH1A1L3MBTL1LMNATP53 | |
| SCHEMBL27759677 | 0.80 | KLKB1 (0.38) | GRM5ALDH1A1LMNA | |
| SCHEMBL2896607 | 0.80 | GRM5 (0.52) | GRM5ALDH1A1MAPT | |
| SCHEMBL27818962 | 0.80 | KLKB1 (0.38) | GRM5ALDH1A1LMNA |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110306768-A1 | PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | US | claimed |
| US-20090131454-A1 | New compounds 067 | ASTRAZENECA AB (SE) | 2009-05-21 | — | — | US | claimed |
| US-20090111857-A1 | 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | claimed |
| US-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | US | claimed |
| US-20180265524-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. | 2018-09-20 | — | — | US | disclosed |
| US-10000511-B2 | Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| US-9365506-B2 | Compounds and compositions as TLR2 agonists | NOVARTIS AG (CH) | 2016-06-14 | — | — | US | disclosed |
| US-20150315211-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-11-05 | — | — | US | disclosed |
| US-20140323390-A1 | COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS | IRM LLC (BM) | 2014-10-30 | — | — | US | disclosed |
| US-20130035304-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR | 2013-02-07 | — | — | US | disclosed |
| US-20110306768-A1 | PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | US | disclosed |
| US-20110306768-A1 | PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | US | disclosed |
| US-20090131454-A1 | New compounds 067 | ASTRAZENECA AB (SE) | 2009-05-21 | — | — | US | disclosed |
| US-20090111857-A1 | 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |
| US-20090111857-A1 | 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |
| WO-2009054785-A1 | 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |
| WO-2009051556-A1 | TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) | ASTRAZENECA AB (SE) | 2009-04-23 | — | — | WO | disclosed |
| US-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | US | disclosed |
| US-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | US | disclosed |
| WO-2008041075-A1 | MGLUR5 MODULATORS | ASTRAZENECA AB (SE) | 2008-04-10 | — | — | 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 (9 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-20090111857-A1 | 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 | GRM5, GRIK5, GRM1 | GRM5 1/4885ALDH1A1 4175/4885L3MBTL1 4579/4885 |
| US-20090131454-A1 | New compounds 067 | UGT2B7, UGT1A7, CYP3A7 | GRM5 1146/4885ALDH1A1 1808/4885L3MBTL1 4851/4885 |
| US-20080125436-A1 | 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting | GLRA1, GRM1, GRM5 | GRM5 3/4885ALDH1A1 500/4885L3MBTL1 3546/4885 |
| US-20130035304-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | MCL1, BCL2, BCL2L1 | GRM5 4280/4885ALDH1A1 2862/4885L3MBTL1 350/4885 |
| US-10000511-B2 | Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders | MCL1, BCL2, BCL2L1 | GRM5 4280/4885ALDH1A1 2862/4885L3MBTL1 350/4885 |
| US-20140323390-A1 | COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS | TLR2, TLR1, TLR3 | GRM5 357/4885ALDH1A1 4593/4885L3MBTL1 3076/4885 |
| US-20150315211-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | MCL1, BCL2, BCL2L1 | GRM5 4280/4885ALDH1A1 2862/4885L3MBTL1 350/4885 |
| US-20180265524-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | MCL1, BCL2, BCL2L1 | GRM5 4280/4885ALDH1A1 2862/4885L3MBTL1 350/4885 |
| US-20110306768-A1 | PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL | ADH1A, ADH5, ADH1C | GRM5 1518/4885ALDH1A1 32/4885L3MBTL1 1323/4885 |
“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.