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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 6/20 | 0.67 |
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.51 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 8/20 | 0.67 |
| ▸ | DRD3 | P35462 | 8/20 | 0.67 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 7/20 | 0.51 |
| ▸ | HTR2C | P28335 | 7/20 | 0.51 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL8486169 | 0.99 | DRD2 (0.68) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| SCHEMBL8484819 | 0.83 | DRD2 (0.94) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| SCHEMBL8488127 | 0.81 | DRD3 (0.64) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| SCHEMBL5181397 | 0.80 | DRD2 (1.00) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| Bromide SCHEMBL8483635 | 0.80 | DRD2 (0.66) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| Hydrochloric Acid SCHEMBL4929010 | 0.79 | DRD2 (0.98) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| Bromide SCHEMBL8484082 | 0.79 | DRD2 (0.68) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| SCHEMBL8482786 | 0.78 | DRD2 (0.67) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| SCHEMBL8581543 | 0.78 | DRD2 (0.69) | DRD2DRD3ADRA1AHRH4KCNH2 | |
| SCHEMBL7205471 | 0.76 | HTR1A (0.71) | DRD2DRD3ADRA1AHRH4KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999021848-A2 | NOVEL 1-(N'-(ARYLALKYLAMINOALKYL))AMINOISOINDOLES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 1999-05-06 | — | — | WO | claimed |