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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.41 |
| ▸ | HTR1F known ✓ | P30939 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9757529 | 0.98 | CHRNB2 (0.50) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| SCHEMBL3440858 | 0.77 | ADRA2A (0.51) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| SCHEMBL8248220 | 0.77 | PNMT (0.53) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| SCHEMBL2246315 | 0.73 | CYP1A2 (0.54) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| SCHEMBL9571060 | 0.72 | CYP1A2 (0.49) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| SCHEMBL531907 | 0.71 | CYP1A2 (0.55) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL4761772 | 0.70 | ITGB3 (0.55) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| SCHEMBL7476527 | 0.70 | PYGL (0.52) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| SCHEMBL9093549 | 0.70 | CHRNB2 (0.45) | CHRNB2CHRNA4CYP1A2HTR2CHTR2B | |
| Bromide SCHEMBL7500211 | 0.69 | PNMT (0.54) | HTR2CHTR2BADRA2AHTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5026856-A | Bactericides | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1991-06-25 | — | — | US | disclosed |
| EP-0343560-A2 | Isoindoline derivative | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1989-11-29 | — | — | EP | disclosed |