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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.58 |
| ▸ | MAPT | P10636 | 8/20 | 0.58 |
| ▸ | MEN1 | O00255 | 7/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.58 |
| ▸ | RELA | Q04206 | 3/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.54 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 8/20 | 0.53 |
| ▸ | GAA | P10253 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.53 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.50 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7670429 | 0.78 | ALOX5 (0.82) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL7554523 | 0.76 | ALOX5 (0.84) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL1822611 | 0.76 | SMN1; SMN2 (0.84) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL12639826 | 0.74 | SMN1; SMN2 (1.00) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL2532768 | 0.73 | TRPV4 (0.60) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL1886135 | 0.72 | SMN1; SMN2 (1.00) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL4245215 | 0.70 | ROCK1 (0.57) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL1821894 | 0.70 | ALOX5 (0.79) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL10072694 | 0.70 | ALOX5 (0.74) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 | |
| SCHEMBL29152957 | 0.70 | MEN1 (0.76) | KMT2AMAPTMEN1SMN1; SMN2NFKB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8524718-B2 | Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMA S.A. (CH) | 2013-09-03 | — | — | US | disclosed |
| US-20120329811-A1 | Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors | BOLEA CHRISTELLE (CH) | 2012-12-27 | — | — | US | disclosed |
| US-20100144756-A1 | NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2010-06-10 | — | — | US | disclosed |
| EP-2181110-A2 | NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2010-05-05 | — | — | EP | disclosed |
| WO-2009010455-A2 | PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA S.A. (CH) | 2009-01-22 | — | — | WO | disclosed |
| WO-2009010871-A2 | PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR | ADDEX PHARMA S.A. (CH) | 2009-01-22 | — | — | 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 (2 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-20100144756-A1 | NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | GRM3, GRM4, GRM2 | KMT2A 1716/4885MAPT 1440/4885MEN1 3884/4885 |
| US-20120329811-A1 | Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors | GRM3, GRM4, GRM1 | KMT2A 1764/4885MAPT 1498/4885MEN1 3722/4885 |
“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.