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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 8/20 | 0.44 |
| ▸ | DRD4 | P21917 | 6/20 | 0.43 |
| ▸ | DRD3 | P35462 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7773447 | 0.99 | HTR7 (0.45) | HTR7HTR1ASLC6A4KCNH2DRD2 | |
| SCHEMBL7856186 | 0.90 | DRD3 (0.49) | HTR1ADRD2DRD3KDM4EKMT2A | |
| Bromide SCHEMBL7775341 | 0.89 | ADRA1A (0.44) | DRD4ADRA1DADRA1A | |
| SCHEMBL7775362 | 0.88 | ADRA1A (0.44) | DRD4ADRA1DADRA1A | |
| SCHEMBL27571993 | 0.86 | NPC1 (0.38) | HTR1ADRD2DRD3MAPTALDH1A1 | |
| Bromide SCHEMBL7775396 | 0.86 | DRD2 (0.50) | SLC6A4DRD2DRD3KMT2AMEN1 | |
| SCHEMBL7776879 | 0.85 | DRD2 (0.51) | SLC6A4DRD2DRD3KMT2AMEN1 | |
| SCHEMBL27577486 | 0.83 | MAPT (0.42) | KMT2AMEN1MAPTALDH1A1 | |
| Fumaric Acid SCHEMBL7855787 | 0.83 | DRD3 (0.49) | HTR7HTR1ADRD2DRD4DRD3 | |
| Bromide SCHEMBL7773488 | 0.83 | NPC1 (0.43) | HTR7SLC6A4KDM4EKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | claimed |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | disclosed |