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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 9/20 | 0.51 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7776873 | 0.99 | HTR1A (0.52) | HTR1AHTR1DDRD2DRD3 | |
| SCHEMBL7769221 | 0.89 | DRD2 (0.48) | HTR1ADRD2DRD3 | |
| Bromide SCHEMBL27565682 | 0.82 | KCNH2 (0.50) | HTR1ADRD2DRD3 | |
| Fumaric Acid SCHEMBL7773336 | 0.81 | HTR1A (0.48) | HTR1ADRD2DRD3 | |
| SCHEMBL27568495 | 0.81 | KCNH2 (0.51) | HTR1ADRD2DRD3 | |
| Bromide SCHEMBL7773368 | 0.79 | ALDH1A1 (0.47) | HTR1ADRD2DRD3 | |
| SCHEMBL7856186 | 0.78 | DRD3 (0.49) | HTR1ADRD2DRD3 | |
| SCHEMBL7769227 | 0.78 | ALDH1A1 (0.48) | HTR1ADRD2DRD3 | |
| Bromide SCHEMBL7775386 | 0.77 | CA1 (0.48) | HTR1ADRD2 | |
| Bromide SCHEMBL7775396 | 0.77 | DRD2 (0.50) | DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | claimed |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | claimed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | claimed |