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 | 9/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 9/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 8/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
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 SCHEMBL7384800 | 1.00 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C19SLC6A4SLC6A3 | |
| SCHEMBL7380713 | 0.99 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C19SLC6A4SLC6A3 | |
| SCHEMBL7380710 | 0.99 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C19SLC6A4SLC6A3 | |
| Bromide SCHEMBL7384756 | 0.90 | OPRM1 (0.34) | SLC6A4SLC6A3SLC6A2CYP2D6OPRM1 | |
| Bromide SCHEMBL7384759 | 0.90 | OPRM1 (0.34) | SLC6A4SLC6A3SLC6A2CYP2D6OPRM1 | |
| SCHEMBL7384103 | 0.89 | OPRM1 (0.35) | SLC6A4SLC6A3SLC6A2CYP2D6OPRM1 | |
| SCHEMBL7384105 | 0.89 | OPRM1 (0.35) | SLC6A4SLC6A3SLC6A2CYP2D6OPRM1 | |
| Bromide SCHEMBL7385306 | 0.85 | HSD11B1 (0.37) | ALDH1A1CYP1A2CYP2C19CYP2D6MEN1 | |
| Bromide SCHEMBL7385305 | 0.85 | HSD11B1 (0.37) | ALDH1A1CYP1A2CYP2C19CYP2D6MEN1 | |
| Bromide SCHEMBL7422716 | 0.85 | SLC6A4 (0.36) | ALDH1A1CYP1A2CYP2C19SLC6A4SLC6A3 |
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-0970090-B1 | SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE | KNOLL GMBH (DE) | 2002-06-05 | — | — | EP | disclosed |
| US-6187802-B1 | 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE | KNOLL AKTIENGESELLSCHAFT (DE) | 2001-02-13 | — | — | US | disclosed |
| EP-0970090-A1 | SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE | Knoll AG (DE) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998041528-A1 | SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-09-24 | — | — | WO | disclosed |