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 | |
|---|---|---|---|---|
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.45 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.45 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.45 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.44 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.44 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7769229 | 0.99 | HTR7 (0.46) | HTR7ADRA1DADRA1AADRA1BMAPT | |
| Bromide SCHEMBL7773368 | 0.92 | ALDH1A1 (0.47) | ADRA1DADRA1AADRA1BMAPTLMNA | |
| SCHEMBL7769227 | 0.91 | ALDH1A1 (0.48) | ADRA1DADRA1AADRA1BMAPTLMNA | |
| Bromide SCHEMBL7773413 | 0.90 | HTR2A (0.46) | HTR7ADRA1DADRA1AADRA1BMAPT | |
| SCHEMBL7773359 | 0.89 | HTR2A (0.47) | HTR7ADRA1DADRA1AADRA1BMAPT | |
| SCHEMBL7769221 | 0.84 | DRD2 (0.48) | ADRA1DADRA1AADRA1BMAPTLMNA | |
| Bromide SCHEMBL27577479 | 0.83 | KDM4E (0.46) | MAPTLMNAKDM4EMAPK1ALDH1A1 | |
| SCHEMBL27568494 | 0.82 | KDM4E (0.47) | MAPTLMNAKDM4EMAPK1ALDH1A1 | |
| SCHEMBL7984291 | 0.81 | TSHR (0.44) | HTR7ADRA1DADRA1AADRA1BMAPT | |
| Bromide SCHEMBL7769214 | 0.79 | HTR7 (0.43) | HTR7ADRA1DADRA1AADRA1BMAPT |
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 |