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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.46 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 5/20 | 0.50 |
| ▸ | DRD3 | P35462 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7776879 | 0.99 | DRD2 (0.51) | DRD2DRD3SLC6A2SLC6A4MAPT | |
| SCHEMBL7856186 | 0.86 | DRD3 (0.49) | DRD2DRD3MAPTALDH1A1TP53 | |
| Bromide SCHEMBL7848004 | 0.86 | HTR7 (0.44) | DRD2DRD3SLC6A4MAPTALDH1A1 | |
| SCHEMBL7769221 | 0.85 | DRD2 (0.48) | DRD2DRD3SLC6A2SLC6A4MAPT | |
| SCHEMBL7773447 | 0.85 | HTR7 (0.45) | DRD2DRD3SLC6A4MAPTALDH1A1 | |
| Bromide SCHEMBL7775386 | 0.84 | CA1 (0.48) | DRD2MAPTALDH1A1NPSR1MEN1 | |
| SCHEMBL7773392 | 0.83 | CA1 (0.48) | DRD2MAPTALDH1A1NPSR1MEN1 | |
| SCHEMBL27545653 | 0.82 | HTR1A (0.45) | DRD2DRD3ADRA1AMAPK1 | |
| Bromide SCHEMBL7775398 | 0.81 | DRD2 (0.47) | DRD2DRD3SLC6A2SLC6A4MAPT | |
| SCHEMBL7776882 | 0.80 | DRD2 (0.47) | DRD2DRD3SLC6A2SLC6A4MAPT |
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 | 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 |