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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 5/20 | 0.43 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.40 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 7/20 | 0.44 |
| ▸ | DRD2 | P14416 | 8/20 | 0.43 |
| ▸ | HTR2A | P28223 | 6/20 | 0.43 |
| ▸ | HTR6 | P50406 | 4/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7855540 | 0.99 | TSHR (0.49) | TSHRPARP1HTR7DRD2HTR2A | |
| Bromide SCHEMBL7773481 | 0.85 | TSHR (0.48) | TSHRPARP1HTR7DRD2HTR2A | |
| Bromide SCHEMBL7520808 | 0.81 | TSHR (0.72) | TSHRPARP1HTR7DRD2HTR2A | |
| SCHEMBL7521873 | 0.80 | TSHR (0.73) | TSHRPARP1HTR7DRD2HTR2A | |
| Bromide SCHEMBL7776842 | 0.76 | ALDH1A1 (0.43) | TSHRPARP1DRD2DRD4SIGMAR1 | |
| SCHEMBL7773477 | 0.74 | ALDH1A1 (0.44) | TSHRPARP1DRD2DRD4SIGMAR1 | |
| SCHEMBL7524765 | 0.71 | DRD4 (0.48) | TSHRPARP1DRD2HTR2AHTR1A | |
| SCHEMBL7773402 | 0.69 | HTR1A (0.53) | HTR7DRD2HTR2AHTR1AHTR6 | |
| Bromide SCHEMBL7519489 | 0.68 | ALDH1A1 (0.57) | TSHRHTR7DRD2HTR2AHTR1A | |
| SCHEMBL17654095 | 0.67 | HTR7 (0.74) | HTR7DRD2HTR2AHTR1AHTR6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | claimed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | claimed |