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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 3/20 | 0.40 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.40 |
| ▸ | ADRB3 known ✓ | P13945 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 SCHEMBL9529787 | 0.89 | DRD2 (0.45) | KDM1ADRD2DRD4BCHEADRB2 | |
| SCHEMBL10514380 | 0.88 | DRD2 (0.46) | KDM1ADRD2DRD4BCHEADRB2 | |
| SCHEMBL9529130 | 0.85 | HTR2A (0.43) | KDM1ABCHEOPRM1 | |
| SCHEMBL9529368 | 0.79 | BCHE (0.48) | CA1CA2CA7CA9CA14 | |
| SCHEMBL3453173 | 0.79 | OPRM1 (0.56) | OPRM1KDM4EGAA | |
| SCHEMBL329846 | 0.78 | BCHE (0.49) | CA1CA2CA7CA9CA14 | |
| SCHEMBL329925 | 0.77 | OPRM1 (0.57) | OPRM1KDM4EGAA | |
| SCHEMBL329828 | 0.77 | OPRM1 (0.57) | OPRM1KDM4EGAA | |
| SCHEMBL330238 | 0.77 | OPRM1 (0.57) | OPRM1KDM4EGAA | |
| SCHEMBL9529191 | 0.77 | HTR2C (0.43) | OPRM1KDM4EMAPT |
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 |