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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 10/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 10/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 8/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
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 SCHEMBL9521502 | 0.87 | DRD2 (0.44) | OPRM1OPRK1OPRD1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL9521325 | 0.83 | GRIN2B (0.44) | GRIN1GRIN2B | |
| Bromide SCHEMBL9521909 | 0.79 | ESR1 (0.53) | OPRM1OPRK1OPRD1DRD2DRD3 | |
| Bromide SCHEMBL9519863 | 0.78 | HTR1A (0.42) | OPRM1OPRK1OPRD1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL7854105 | 0.76 | ESR1 (0.53) | OPRM1OPRK1OPRD1DRD2DRD3 | |
| Bromide SCHEMBL9715538 | 0.74 | ESR1 (0.50) | OPRM1OPRK1OPRD1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL9521577 | 0.73 | GRIN2B (0.43) | OPRM1OPRK1OPRD1ESR1ESR2 | |
| Bromide SCHEMBL9521924 | 0.72 | ESR1 (0.43) | OPRK1ESR1ESR2GRM5GRIN1 | |
| Hydrochloric Acid SCHEMBL9521566 | 0.72 | ESR1 (0.51) | OPRM1OPRK1OPRD1DRD2DRD3 | |
| SCHEMBL7358263 | 0.70 | ESR1 (0.46) | ESR1ESR2GRIN1GRIN2BSIGMAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5140040-A | Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) | ABBOTT LABORATORIES (US) | 1992-08-18 | — | — | US | disclosed |
| US-5128362-A | Antidepressant, antiglaucoma | ABBOTT LABORATORIES (US) | 1992-07-07 | — | — | US | disclosed |
| US-5086074-A | Selective adrenergic receptor antagonists | ABBOTT LABORATORIES (US) | 1992-02-04 | — | — | US | disclosed |
| EP-0395734-A4 | 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES | — | 1991-01-02 | — | — | EP | disclosed |
| EP-0395734-A1 | 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES | ABBOTT LABORATORIES (US) | 1990-11-07 | — | — | EP | disclosed |
| WO-1989006645-A1 | 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES | ABBOTT LABORATORIES (US) | 1989-07-27 | — | — | WO | disclosed |