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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 7/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27568495 | 0.99 | KCNH2 (0.51) | KCNH2DRD2DRD4RAB9ANPC1 | |
| SCHEMBL27545676 | 0.89 | DRD4 (0.50) | KCNH2DRD2DRD4RAB9ANPC1 | |
| Bromide SCHEMBL7775404 | 0.82 | HTR1A (0.51) | DRD2HTR1ADRD3 | |
| SCHEMBL7776873 | 0.81 | HTR1A (0.52) | DRD2HTR1ADRD3 | |
| SCHEMBL27565676 | 0.78 | CACNA1G (0.51) | KCNH2DRD2DRD4RAB9ANPC1 | |
| Bromide SCHEMBL27545650 | 0.77 | KCNH2 (0.45) | KCNH2DRD2DRD4NPC1ALDH1A1 | |
| Bromide SCHEMBL27577479 | 0.76 | KDM4E (0.46) | KCNH2DRD2DRD4NPC1ALDH1A1 | |
| Bromide SCHEMBL27545647 | 0.76 | MAPT (0.42) | KCNH2DRD2DRD4RAB9ANPC1 | |
| SCHEMBL27577482 | 0.76 | KCNH2 (0.46) | KCNH2DRD2DRD4NPC1ALDH1A1 | |
| SCHEMBL27568494 | 0.75 | KDM4E (0.47) | KCNH2DRD2DRD4NPC1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1325397-A | 2-piperazino alkylatnino benzoazole derivatives: dopamine receptor subtype sepcific ligands | NEUROGEN CORP (US) | 2001-12-05 | — | — | CN | claimed |