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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.37 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9532399 | 0.99 | OPRD1 (0.44) | OPRD1OPRK1DRD2OPRM1SIGMAR1 | |
| SCHEMBL9529309 | 0.99 | OPRD1 (0.46) | OPRD1OPRK1DRD2OPRM1SIGMAR1 | |
| Bromide SCHEMBL9531812 | 0.88 | ADRA2A (0.37) | — | |
| SCHEMBL30428663 | 0.87 | OPRM1 (0.41) | OPRD1OPRK1DRD2OPRM1HTR1A | |
| SCHEMBL9530729 | 0.82 | HTR2C (0.43) | OPRD1OPRK1OPRM1 | |
| SCHEMBL9527933 | 0.82 | HTR7 (0.38) | OPRD1OPRK1OPRM1 | |
| SCHEMBL9532270 | 0.82 | OPRL1 (0.41) | OPRD1OPRK1OPRM1 | |
| Bromide SCHEMBL9530444 | 0.80 | OPRM1 (0.41) | DRD2OPRM1HTR1A | |
| SCHEMBL9529216 | 0.79 | CHRM4 (0.42) | OPRM1HTR1A | |
| SCHEMBL9529211 | 0.79 | SIGMAR1 (0.48) | SIGMAR1HTR1A |
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 |