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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.60 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.60 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.60 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.60 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.52 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.52 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.43 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.43 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.60 |
| ▸ | HRH1 | P35367 | 3/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.60 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5098280 | 0.99 | LMNA (0.61) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL579695 | 0.88 | CHRM2 (0.64) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL579694 | 0.88 | CHRM2 (0.64) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL560996 | 0.88 | CHRM2 (0.64) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL13592140 | 0.83 | LMNA (0.60) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL3105500 | 0.82 | SLC6A4 (0.63) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL3105509 | 0.82 | SLC6A4 (0.63) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL14117484 | 0.80 | MAPT (0.67) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL14595089 | 0.78 | MAPT (0.68) | LMNAMAPTCHRM2CHRM1HRH1 | |
| SCHEMBL14826646 | 0.78 | MAPT (0.68) | LMNAMAPTCHRM2CHRM1HRH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1622606-A1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | Pharmacia & Upjohn Company LLC (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004091607-A1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-10-28 | — | — | WO | disclosed |
| US-20040138253-A1 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY | 2004-07-15 | — | — | US | 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-20040138253-A1 | Quaternary ammonium compounds | ARG1, HRH4, HRH1 | CHRM2 676/4885SLC6A4 3080/4885ADRA1A 544/4885 |
“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.