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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 16/20 | 0.69 |
| ▸ | DRD4 | P21917 | 15/20 | 0.69 |
| ▸ | DRD3 | P35462 | 14/20 | 0.69 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1388514 | 0.99 | DRD2 (0.70) | DRD2DRD4DRD3HPGDSIDO1 | |
| SCHEMBL1388648 | 0.92 | DRD2 (0.69) | DRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL8307039 | 0.91 | DRD2 (0.67) | DRD2DRD4DRD3 | |
| SCHEMBL1388458 | 0.86 | DRD2 (0.68) | DRD2DRD4DRD3 | |
| SCHEMBL1388783 | 0.82 | DRD2 (0.61) | DRD2DRD4DRD3 | |
| SCHEMBL1388750 | 0.80 | DRD2 (0.66) | DRD2DRD4DRD3 | |
| SCHEMBL1388360 | 0.79 | DRD4 (0.70) | DRD2DRD4DRD3CYP1A2CYP3A4 | |
| SCHEMBL1388678 | 0.79 | DRD2 (0.70) | DRD2DRD4DRD3 | |
| SCHEMBL1388551 | 0.79 | DRD4 (0.70) | DRD2DRD4DRD3HPGDSHTR2A | |
| SCHEMBL1388650 | 0.77 | DRD4 (0.71) | DRD2DRD4DRD3CYP1A2CYP3A4 |
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-0665833-B1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME (GB) | 1999-07-14 | — | — | EP | disclosed |
| US-5631269-A | Dopamine receptor subtype ligands | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-20 | — | — | US | disclosed |
| WO-1994010145-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |