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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.40 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.39 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3312604 | 0.75 | HRH1 (0.46) | HRH3L3MBTL1 | |
| Bromide SCHEMBL1077951 | 0.68 | SLC6A3 (0.50) | SLC6A3SIGMAR1HRH3GSK3AGSK3B | |
| SCHEMBL1076869 | 0.66 | SLC6A3 (0.52) | SLC6A3SIGMAR1HRH3GSK3AGSK3B | |
| SCHEMBL7378750 | 0.66 | SLC6A3 (0.58) | SLC6A3SIGMAR1HRH3HTR1ADRD2 | |
| Bromide SCHEMBL28568184 | 0.65 | SLC6A3 (0.40) | SLC6A3SIGMAR1HRH3HTR1ADRD2 | |
| Bromide SCHEMBL28556552 | 0.65 | SLC6A3 (0.40) | SLC6A3SIGMAR1HRH3GSK3AGSK3B | |
| SCHEMBL2308480 | 0.64 | — | — | |
| Iodide SCHEMBL9160115 | 0.64 | SLC6A3 (0.50) | SLC6A3SIGMAR1HRH3GSK3AGSK3B | |
| SCHEMBL4054826 | 0.63 | SLC6A3 (0.58) | SLC6A3SIGMAR1HRH3LTA4HHTR1A | |
| SCHEMBL9902151 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5409929-A | Treating psychosis, dyskinesia | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-25 | — | — | US | disclosed |
| EP-0626947-A1 | HYDROISOINDOLINES AND HYDROISOQUINOLINES AS PSYCHOTROPIC DRUGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-12-07 | — | — | EP | disclosed |
| WO-1993016047-A1 | HYDROISOINDOLINES AND HYDROISOQUINOLINES AS PSYCHOTROPIC DRUGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5216018-A | Antidyskinetic agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-06-01 | — | — | US | disclosed |