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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.34 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 15/20 | 0.34 |
| ▸ | HTR2A | P28223 | 4/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 12/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8057128 | 0.98 | HTR2C (0.35) | HTR2CHTR2ACHRM4CHRM5CHRM1 | |
| SCHEMBL30932851 | 0.98 | HTR2C (0.35) | HTR2CHTR2ACHRM4CHRM5CHRM1 | |
| SCHEMBL20073439 | 0.79 | NOS3 (0.41) | — | |
| SCHEMBL22545792 | 0.77 | NOS3 (0.44) | CHRM1 | |
| SCHEMBL7708007 | 0.73 | HTR2C (0.42) | HTR2CHTR2ACHRM4CHRM5CHRM1 | |
| SCHEMBL11076421 | 0.71 | HRH4 (0.42) | HTR2CHRH3DRD2HRH4 | |
| SCHEMBL24638726 | 0.69 | HTR2C (0.34) | HTR2CHTR2ACHRM4CHRM5CHRM1 | |
| SCHEMBL24638725 | 0.69 | MLNR (0.38) | HTR2CHTR2ACHRM4CHRM5CHRM1 | |
| SCHEMBL24638722 | 0.69 | CHRNB2 (0.42) | HTR2CHTR2ACHRM4CHRM5CHRM1 | |
| SCHEMBL24638666 | 0.69 | HTR2C (0.36) | HTR2CHTR2ACHRM4CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4486433-A | SLOWING HEART RATE | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-04 | — | — | US | 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 |