Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 4/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | ITGAL | P20701 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | ADK | P55263 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12470 | 0.98 | — | — | |
| SCHEMBL29465576 | 0.98 | — | — | |
| SCHEMBL706764 | 0.98 | MAPT (0.50) | MAPTAHRTRPA1CA1CA2 | |
| SCHEMBL27728878 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL5532283 | 0.95 | MAPT (0.49) | MAPTAHRTRPA1CA1CA2 | |
| SCHEMBL7491548 | 0.95 | MAPT (0.49) | MAPTAHRTRPA1CA1CA2 | |
| Hydrochloric Acid SCHEMBL2978417 | 0.95 | MAPT (0.49) | MAPTAHRTRPA1CA1CA2 | |
| SCHEMBL17372872 | 0.90 | MAPT (0.45) | MAPTAHRTRPA1CA1CA2 | |
| Formic Acid SCHEMBL23291890 | 0.86 | CCNC (0.44) | MAPTAHRTRPA1CA1CA2 | |
| Phosphoric Acid SCHEMBL3828696 | 0.86 | MAPT (0.43) | MAPTAHRTRPA1CA1CA2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8609852-B2 | Thiazolyl mGluR5 antagonists and methods for their use | MERCK SHARP & DOHME CORP. (US) | 2013-12-17 | — | — | US | disclosed |
| US-20120289696-A1 | THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE | MERCK SHARP & DOHME LLC | 2012-11-15 | — | — | US | disclosed |
| US-8242143-B2 | Thiazolyl mGluR5 antagonists and methods for their use | MERCK SHARP & DOHME CORP. (US) | 2012-08-14 | — | — | US | disclosed |
| EP-2380889-A2 | Thiazolyl MGLUR5 antagonists and methods for their use | Merck Sharp & Dohme Corp. (US) | 2011-10-26 | — | — | EP | disclosed |
| CN-101223166-B | Thiazolyl MGLUR5 antagonists and methods for their use | MERCK & CO INC | 2011-10-19 | — | — | CN | disclosed |
| US-20110230526-A1 | Thiazolyl Mglur5 Antagonists and Methods for Their Use | MERCK SHARP & DOHME CORP. (US) | 2011-09-22 | — | — | US | disclosed |
| US-7879882-B2 | glutamate receptor antagonists such as 3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl]benzonitrile, used for the treatment of ischemia, , schizophrenia, obesity, attention deficit disorders, epilepsy, eating, cardiovacular, neurodegenerative, psychological and sleep disorders | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |
| EP-1784404-A4 | PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORP (KR) | 2009-09-09 | — | — | EP | disclosed |
| US-20090203903-A1 | Thiazolyl mglur5 antagonists and methods for their use | MERCK SHARP & DOHME LLC | 2009-08-13 | — | — | US | disclosed |
| EP-1893608-A4 | THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE | MERCK & CO INC (US) | 2009-04-22 | — | — | EP | disclosed |
| CN-101223166-A | Thiazolyl MGLUR5 antagonists and methods for their use | MERCK & CO INC (US) | 2008-07-16 | — | — | CN | disclosed |
| EP-1893608-A2 | THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE | Merck and Co., Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| EP-1784404-A1 | PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | Yuhan Corporation (KR) | 2007-05-16 | — | — | EP | disclosed |
| WO-2007050050-A2 | THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE | MERCK & CO., INC. (US) | 2007-05-03 | — | — | WO | disclosed |
| WO-2006025716-A1 | PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORPORATION (KR) | 2006-03-09 | — | — | 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-20120289696-A1 | THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE | GRM5, GRIK5, GRM3 | MAPT 1999/4885AHR 1772/4885TRPA1 201/4885 |
| US-20090203903-A1 | Thiazolyl mglur5 antagonists and methods for their use | GRM5, GRIK5, GRM3 | MAPT 1999/4885AHR 1772/4885TRPA1 201/4885 |
| US-20110230526-A1 | Thiazolyl Mglur5 Antagonists and Methods for Their Use | GRM5, GRIK5, GRM3 | MAPT 1999/4885AHR 1772/4885TRPA1 201/4885 |
“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.