Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.46 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RAD52 | P43351 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29659675 | 0.98 | HTT (0.46) | KDM4ELMNAHTTHSP90AA1SMN1; SMN2 | |
| SCHEMBL902375 | 0.98 | HTT (0.46) | KDM4ELMNAHTTHSP90AA1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2833307 | 0.96 | RAD52 (0.46) | HTTHSP90AA1SMN1; SMN2RAD52CHRM2 | |
| Bromide SCHEMBL9299104 | 0.93 | HSP90AA1 (0.56) | LMNAHTTHSP90AA1SMN1; SMN2RAD52 | |
| Bromide SCHEMBL10783842 | 0.93 | HSP90AA1 (0.56) | LMNAHTTHSP90AA1SMN1; SMN2RAD52 | |
| SCHEMBL4070618 | 0.93 | HTT (0.53) | LMNAHTTHSP90AA1SMN1; SMN2RAD52 | |
| SCHEMBL22265223 | 0.91 | HTT (0.41) | LMNAHTTHSP90AA1SMN1; SMN2RAD52 | |
| SCHEMBL29851032 | 0.91 | HTT (0.41) | LMNAHTTHSP90AA1SMN1; SMN2RAD52 | |
| SCHEMBL385303 | 0.91 | HTT (0.41) | LMNAHTTHSP90AA1SMN1; SMN2RAD52 | |
| SCHEMBL3922589 | 0.91 | HTT (0.56) | LMNAHTTHSP90AA1SMN1; SMN2RAD52 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020152206-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-07-30 | — | — | WO | disclosed |
| US-8101749-B2 | Process for the preparation of onium salts with a tetrafluoroborate anion having a reduced halide content | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-01-24 | — | — | US | disclosed |
| EP-1831179-B1 | METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-11-03 | — | — | EP | disclosed |
| US-20100222580-A1 | Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content | MERCK PATENT GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| EP-1828142-B1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-06-02 | — | — | EP | disclosed |
| US-20100048327-A1 | Highly-Neutralized Golf Ball Compositions | ACUSHNET COMPANY | 2010-02-25 | — | — | US | disclosed |
| US-20090253905-A1 | PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| US-20090253912-A1 | PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH A TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| EP-1824827-B1 | METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2008-09-17 | — | — | EP | disclosed |
| EP-1831179-A1 | METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | Merck Patent GmbH (DE) | 2007-09-12 | — | — | EP | disclosed |
| EP-1828142-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | Merck Patent GmbH (DE) | 2007-09-05 | — | — | EP | disclosed |
| EP-1824827-A1 | METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | Merck Patent GmbH (DE) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006063654-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006063653-A1 | METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006063656-A1 | METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | 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 (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-20090253905-A1 | PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | ARSA, STS, SCLY | CHRM2 3907/4885CHRM4 3583/4885CHRM5 3118/4885 |
| US-20100222580-A1 | Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content | STS, MRPS35, ARSA | CHRM2 4343/4885CHRM4 3953/4885CHRM5 3244/4885 |
| US-20090253912-A1 | PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH A TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | HCN4, PFAS, NUP205 | CHRM2 4459/4885CHRM4 3475/4885CHRM5 3170/4885 |
“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.