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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 4/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 5/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10052973 | 0.83 | TRPA1 (0.44) | PNMTDRD2DRD3HTR2AHTR2C | |
| SCHEMBL28439114 | 0.82 | MAOA (0.50) | PNMTDRD2DRD3HTR2AHTR2C | |
| SCHEMBL30950987 | 0.81 | PNMT (0.52) | PNMTDRD2DRD3HTR2AHTR2C | |
| SCHEMBL6014131 | 0.81 | PNMT (0.52) | PNMTDRD2DRD3HTR2AHTR2C | |
| SCHEMBL29741348 | 0.81 | GRM5 (0.62) | PNMTDRD2DRD3HTR2AHTR2C | |
| SCHEMBL1031985 | 0.81 | GRM5 (0.62) | PNMTDRD2DRD3HTR2AHTR2C | |
| SCHEMBL15970374 | 0.81 | METAP1 (0.48) | DRD2DRD3MAOAMAOBGRM5 | |
| SCHEMBL30711519 | 0.80 | CASP3 (0.43) | DRD2DRD3HTR2AHTR2CHTR2B | |
| SCHEMBL29141181 | 0.80 | CASP3 (0.43) | DRD2DRD3HTR2AHTR2CHTR2B | |
| SCHEMBL29649348 | 0.78 | GRM5 (0.64) | PNMTDRD2DRD3HTR2AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5958950-A | CARDIOVASCULAR DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-09-28 | — | — | US | disclosed |
| WO-1997012615-A1 | BENZIMIDAZOLE DERIVATIVES AS 15-LO INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1997-04-10 | — | — | WO | disclosed |