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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.48 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7854105 | 0.98 | ESR1 (0.53) | ESR1ESR2HTR1ASLC6A4HTR6 | |
| Hydrochloric Acid SCHEMBL9521566 | 0.91 | ESR1 (0.51) | ESR1ESR2HTR1ASLC6A4HTR6 | |
| Hydrochloric Acid SCHEMBL9521638 | 0.91 | ESR1 (0.53) | ESR1ESR2HTR1ASLC6A4OPRM1 | |
| Bromide SCHEMBL9521575 | 0.89 | ESR1 (0.49) | ESR1ESR2HTR1ASLC6A4 | |
| Bromide SCHEMBL9522890 | 0.89 | ESR1 (0.54) | ESR1ESR2HTR1ASLC6A4 | |
| Bromide SCHEMBL9715538 | 0.88 | ESR1 (0.50) | ESR1ESR2OPRM1OPRK1OPRD1 | |
| Hydrochloric Acid SCHEMBL9521293 | 0.87 | HTR1A (0.63) | ESR1ESR2HTR1ASLC6A4HTR6 | |
| Hydrochloric Acid SCHEMBL9522933 | 0.82 | ESR1 (0.49) | ESR1ESR2HTR1ASLC6A4DRD2 | |
| Hydrochloric Acid SCHEMBL9520516 | 0.82 | HTR1A (0.54) | HTR1ASLC6A4HTR6 | |
| Hydrochloric Acid SCHEMBL9521237 | 0.81 | HTR1A (0.53) | HTR1ASLC6A4 |
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 8 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-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 |
| EP-0325963-A1 | 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes | ABBOTT LABORATORIES (US) | 1989-08-02 | — | — | EP | disclosed |
| WO-1989006645-A1 | 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES | ABBOTT LABORATORIES (US) | 1989-07-27 | — | — | WO | disclosed |