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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD5 | P21918 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL162670 | 0.98 | MAOA (0.46) | MAOAMAOBDRD2DRD1DRD4 | |
| Iodide SCHEMBL162027 | 0.95 | MAOA (0.45) | MAOAMAOBDRD2DRD1DRD4 | |
| Sulfuric Acid SCHEMBL158676 | 0.86 | HSD17B10 (0.49) | DRD2DRD3HDAC1HDAC6ALDH1A1 | |
| Phosphoric Acid SCHEMBL166017 | 0.86 | HDAC1 (0.49) | DRD2DRD3HDAC1HDAC6KDM4E | |
| Glycolic Acid SCHEMBL162066 | 0.83 | HDAC1 (0.47) | DRD2DRD3HDAC1HDAC6KDM4E | |
| Malonic Acid SCHEMBL160931 | 0.83 | HDAC1 (0.50) | DRD2DRD3HDAC1HDAC6KDM4E | |
| SCHEMBL158570 | 0.83 | HDAC1 (0.47) | HDAC1HDAC6KDM4ECARM1HTR7 | |
| Nitric Acid SCHEMBL163518 | 0.83 | HDAC1 (0.43) | DRD2DRD3HDAC1HDAC6ALDH1A1 | |
| Succinic Acid SCHEMBL161277 | 0.83 | NOTUM (0.54) | DRD2DRD3HDAC1HDAC6KDM4E | |
| Maleic Acid SCHEMBL161823 | 0.82 | MEN1 (0.46) | DRD2DRD3HDAC1HDAC6KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012030953-A1 | 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL | ARENA PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | WO | disclosed |