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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.41 |
| ▸ | ADRA1D known ✓ | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9529924 | 0.81 | HTR2C (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL9529706 | 0.79 | HSD11B1 (0.47) | DRD2ADRA2AADRA1DADRA1AADRA1B | |
| Bromide SCHEMBL9529783 | 0.75 | OPRD1 (0.45) | DRD2 | |
| Bromide SCHEMBL9531808 | 0.74 | KDM1A (0.47) | DRD2 | |
| SCHEMBL330217 | 0.74 | PRCP (0.62) | PRCP | |
| Bromide SCHEMBL9532399 | 0.74 | OPRD1 (0.44) | DRD2 | |
| SCHEMBL9529309 | 0.73 | OPRD1 (0.46) | DRD2 | |
| Bromide SCHEMBL9529700 | 0.71 | DRD2 (0.47) | DRD2 | |
| SCHEMBL30428663 | 0.70 | OPRM1 (0.41) | DRD2 | |
| SCHEMBL10513388 | 0.70 | DRD2 (0.48) | DRD2 |
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-0330360-B1 | 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists | SMITHKLINE BEECHAM FARMA (IT) | 1993-12-01 | — | — | EP | disclosed |
| US-4954509-A | Isoquinoline derivatives and their use as analgesics | DR. LO. ZAMBELETTI S.P.A. (IT) | 1990-09-04 | — | — | US | disclosed |
| EP-0330360-A1 | 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists | SmithKline Beecham Farmaceutici S.p.A. (IT) | 1989-08-30 | — | — | EP | disclosed |