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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 8/20 | 0.41 |
| ▸ | ADRA1D known ✓ | P25100 | 7/20 | 0.41 |
| ▸ | ADRA1B known ✓ | P35368 | 6/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775365 | 0.99 | ADRA1A (0.41) | ADRA1AADRA1DADRA1BDRD4DRD2 | |
| SCHEMBL7856190 | 0.90 | POLB (0.45) | DRD2 | |
| Bromide SCHEMBL7848009 | 0.89 | MAPT (0.49) | DRD4DRD2 | |
| SCHEMBL7773451 | 0.88 | MAPT (0.49) | DRD4DRD2 | |
| SCHEMBL27571997 | 0.86 | NPC1 (0.39) | DRD4DRD2 | |
| Bromide SCHEMBL7857246 | 0.85 | HTR2A (0.38) | DRD4DRD2 | |
| SCHEMBL7775363 | 0.84 | HTR2A (0.38) | DRD4DRD2 | |
| Fumaric Acid SCHEMBL7855789 | 0.83 | MAPT (0.47) | DRD2 | |
| Bromide SCHEMBL27545758 | 0.82 | NPC1 (0.46) | DRD4DRD2 | |
| Benzene SCHEMBL27545639 | 0.82 | NPC1 (0.42) | DRD4DRD2 |
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 5 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 |
| EP-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | disclosed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |