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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.50 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 6/20 | 0.44 |
| ▸ | DRD5 | P21918 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TDP2 | O95551 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 2/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13928826 | 0.98 | MAOA (0.51) | MAOAMAOBSLC6A4LMNAPOLB | |
| SCHEMBL11343586 | 0.80 | MAPT (0.43) | MAOBLMNAPOLBTDP1DRD1 | |
| SCHEMBL4328518 | 0.78 | MAOA (0.62) | MAOAMAOBSLC6A4LMNAPOLB | |
| SCHEMBL11168026 | 0.77 | CYP2D6 (0.37) | MAOAMAOBSLC6A4DRD1DRD5 | |
| SCHEMBL11162952 | 0.76 | HTR2C (0.58) | LMNAALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL11162262 | 0.76 | TDP1 (0.48) | MAOAMAOBSLC6A4LMNAPOLB | |
| SCHEMBL10351343 | 0.76 | MAOA (0.50) | MAOAMAOBSLC6A4LMNAPOLB | |
| SCHEMBL30101701 | 0.74 | MAOA (0.57) | MAOAMAOBSLC6A4LMNAPOLB | |
| SCHEMBL11169272 | 0.73 | MAOA (0.84) | MAOAMAOBSLC6A4DRD1DRD5 | |
| SCHEMBL10703656 | 0.73 | MAOA (0.65) | MAOAMAOBSLC6A4DRD1DRD5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0080012-A1 | 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate | SMITHKLINE BECKMAN CORPORATION (US) | 1983-06-01 | — | — | EP | disclosed |
| EP-0007070-B1 | 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY | SMITHKLINE BECKMAN CORPORATION (US) | 1983-01-19 | — | — | EP | disclosed |
| US-4265890-A | ANTIPSYCHOTIC, ANTIEMETICS | SMITHKLINE CORPORATION (US) | 1981-05-05 | — | — | US | disclosed |
| EP-0007070-A1 | 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity | SMITHKLINE BECKMAN CORPORATION (US) | 1980-01-23 | — | — | EP | disclosed |