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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.54 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.52 |
| ▸ | TACR1 | P25103 | 5/20 | 0.54 |
| ▸ | CCR3 | P51677 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1916659 | 0.98 | ACHE (0.56) | ACHETACR1CCR3SIGMAR1DRD2 | |
| Bromide SCHEMBL2381446 | 0.88 | TACR1 (0.61) | ACHETACR1SIGMAR1BCHEBACE1 | |
| SCHEMBL731081 | 0.86 | TACR1 (0.62) | ACHETACR1SIGMAR1BCHEBACE1 | |
| Valine SCHEMBL6436086 | 0.85 | TACR1 (0.47) | ACHETACR1SIGMAR1DRD2DRD4 | |
| SCHEMBL13846728 | 0.81 | ACHE (0.54) | ACHETACR1CCR3SIGMAR1DRD2 | |
| SCHEMBL20274753 | 0.81 | ACHE (0.63) | ACHETACR1CCR3SIGMAR1DRD2 | |
| SCHEMBL27799682 | 0.79 | KMT2A (0.52) | ACHETACR1CCR3SIGMAR1DRD2 | |
| SCHEMBL2007231 | 0.78 | ACHE (0.67) | ACHECCR3SIGMAR1DRD2HTR2A | |
| Bromide SCHEMBL7286166 | 0.77 | MCHR1 (0.51) | SIGMAR1DRD2HTR2ADRD3HTR2B | |
| Bromide SCHEMBL9873579 | 0.77 | LMNA (0.47) | SIGMAR1HTR2AHTR2CHTR2B |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225223-B1 | ORGANIC COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2017-01-11 | — | — | EP | disclosed |
| US-8829006-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-09 | — | — | US | disclosed |
| US-8110575-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-07 | — | — | US | disclosed |
| US-20110195954-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-11 | — | — | US | disclosed |
| US-20110021500-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| EP-2251338-A2 | Organic compounds | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| US-6908926-B1 | Substituted imidazoles, their preparation and use | NOVO NORDISK A/S (DK) | 2005-06-21 | — | — | US | disclosed |
| EP-1173438-A1 | SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000063208-A1 | SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2000-10-26 | — | — | WO | disclosed |
| US-4486433-A | SLOWING HEART RATE | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-04 | — | — | US | disclosed |
| EP-0047412-B1 | PYRAZINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-07-25 | — | — | EP | disclosed |
| US-4409220-A | Fused-ring amino-pyrazines as bradycardiac agents | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-10-11 | — | — | US | disclosed |
| EP-0047412-A1 | Pyrazines, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1982-03-17 | — | — | EP | 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-20110021500-A1 | NOVEL COMPOUNDS | CALCRL, CALCR, CALCA | ACHE 1567/4885SIGMAR1 197/4885TACR1 33/4885 |
| US-20110195954-A1 | NOVEL COMPOUNDS | CALCRL, CALCR, CALCA | ACHE 1436/4885SIGMAR1 164/4885TACR1 34/4885 |
“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.