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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 4/20 | 0.52 |
| ▸ | GLA | P06280 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 2/20 | 0.48 |
| ▸ | CASP7 | P55210 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.48 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AXL | P30530 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2222206 | 0.99 | KDM4E (0.54) | KDM4EALDH1A1GAAGLAHSD17B10 | |
| Bromide SCHEMBL1287830 | 0.81 | ALDH1A1 (0.49) | KDM4EALDH1A1GAAGLAHSD17B10 | |
| SCHEMBL6881782 | 0.81 | KDM4E (0.49) | KDM4EALDH1A1GAAGLAHSD17B10 | |
| SCHEMBL15887296 | 0.81 | KDM4E (0.46) | KDM4EALDH1A1GAAGLAHSD17B10 | |
| Hydrochloric Acid SCHEMBL1982096 | 0.80 | KDM4E (0.47) | KDM4EALDH1A1GLAHTTPARP1 | |
| SCHEMBL1710126 | 0.80 | ALDH1A1 (0.50) | KDM4EALDH1A1GAAGLAHSD17B10 | |
| SCHEMBL26688811 | 0.79 | KDM4E (0.51) | KDM4EALDH1A1GAAGLAHSD17B10 | |
| SCHEMBL6883701 | 0.78 | AXL (0.41) | KDM4EALDH1A1GAAGLAHSD17B10 | |
| SCHEMBL21801064 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1GAAGLAHSD17B10 | |
| SCHEMBL30757324 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1GAAGLAHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2512245-B1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2014-07-23 | — | — | EP | disclosed |
| US-8664387-B2 | Pyridoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-03-04 | — | — | US | disclosed |
| EP-2512245-A1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-10-24 | — | — | EP | disclosed |
| US-20120252828-A1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2012-10-04 | — | — | US | disclosed |
| WO-2011075371-A1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-06-23 | — | — | 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 (1 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-20120252828-A1 | PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | CHRM1, CHRM2, CHRNA5 | KDM4E 1604/4885ALDH1A1 2543/4885GAA 3516/4885 |
“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.