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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 8/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 SCHEMBL9521924 | 0.89 | ESR1 (0.43) | ESR1ESR2GRIN1GRIN2BSIGMAR1 | |
| Hydrochloric Acid SCHEMBL9521304 | 0.88 | STS (0.40) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL9521644 | 0.85 | ESR1 (0.45) | ESR1ESR2SIGMAR1 | |
| Bromide SCHEMBL9521588 | 0.83 | ESR1 (0.40) | ESR1ESR2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9522942 | 0.81 | ESR1 (0.40) | ESR1ESR2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9521419 | 0.77 | ESR1 (0.38) | ESR1ESR2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9521577 | 0.77 | GRIN2B (0.43) | ESR1ESR2GRIN1GRIN2BSIGMAR1 | |
| Bromide SCHEMBL9522897 | 0.75 | ESR1 (0.47) | ESR1ESR2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9521607 | 0.75 | KMT2A (0.42) | — | |
| Hydrochloric Acid SCHEMBL9715530 | 0.72 | CYP2D6 (0.40) | GRIN2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0325963-B1 | 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES | ABBOTT LABORATORIES (US) | 1993-09-22 | — | — | EP | disclosed |
| 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-0325963-A1 | 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes | ABBOTT LABORATORIES (US) | 1989-08-02 | — | — | EP | disclosed |