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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 19/20 | 0.97 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 3/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.97 |
| ▸ | MEN1 | O00255 | 1/20 | 0.97 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.97 |
| ▸ | MAPT | P10636 | 1/20 | 0.97 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.97 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.97 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.58 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.58 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.58 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.58 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.58 |
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 SCHEMBL31601130 | 1.00 | SIGMAR1 (0.97) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL2830423 | 0.98 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL5681292 | 0.98 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL10262038 | 0.87 | SIGMAR1 (0.79) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL4873665 | 0.84 | SIGMAR1 (0.80) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL14149704 | 0.81 | SIGMAR1 (0.71) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL15354609 | 0.80 | SIGMAR1 (0.72) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL4637181 | 0.79 | SIGMAR1 (0.67) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| SCHEMBL9160104 | 0.79 | SIGMAR1 (0.67) | SIGMAR1TP53CYP1A2MEN1ALDH1A1 | |
| Bromide SCHEMBL467371 | 0.77 | SIGMAR1 (0.97) | SIGMAR1TP53CYP1A2CYP2D6TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943631-B2 | Administering naloxone sensitive sigma receptor agonist capable of activating opioid receptor | MCW RESEARCH FOUNDATION, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-20080200370-A1 | METHOD OF TREATING DRUG ADDICTION USING DEXTRO-MORPHINE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2008-08-21 | — | — | US | disclosed |