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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.38 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.38 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.38 |
| ▸ | WNT3A | P56704 | 5/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29794018 | 0.98 | ERCC5 (0.44) | ERCC5FEN1CHRM1HTTCTNNB1 | |
| SCHEMBL10531091 | 0.98 | ERCC5 (0.44) | ERCC5FEN1CHRM1HTTCTNNB1 | |
| SCHEMBL28841331 | 0.84 | KMT2A (0.55) | ERCC5FEN1HTTCTNNB1WNT3A | |
| SCHEMBL10526766 | 0.81 | NPC1 (0.47) | HTTKMT2A | |
| Iodide SCHEMBL10529421 | 0.81 | ALDH1A1 (0.33) | HTTKMT2A | |
| Bromide SCHEMBL3845509 | 0.80 | NPC1 (0.46) | KMT2ASLC6A4SLC6A3 | |
| SCHEMBL28841411 | 0.80 | NPC1 (0.48) | HTTCTNNB1WNT3AKMT2A | |
| SCHEMBL28841440 | 0.80 | ALDH1A1 (0.49) | HTTKMT2A | |
| SCHEMBL28841390 | 0.78 | ALDH1A1 (0.44) | KMT2ASLC6A4SLC6A3 | |
| Bromide SCHEMBL10528564 | 0.76 | KMT2A (0.49) | KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182533-B1 | 3-(2-ARYL-2-OXOETHYL)-IMIDAZOLIUM SALTS AS HYPOGLYCEMIC AGENTS | ELI LILLY AND COMPANY (US) | 1989-09-20 | — | — | EP | claimed |
| US-4609670-A | ANTIDIABETIC AGENTS | ELI LILLY AND COMPANY (US) | 1986-09-02 | — | — | US | claimed |
| EP-0182533-A2 | 3-(2-Aryl-2-oxoethyl)-imidazolium salts as hypoglycemic agents | ELI LILLY AND COMPANY (US) | 1986-05-28 | — | — | EP | claimed |
| EP-0182533-B1 | 3-(2-ARYL-2-OXOETHYL)-IMIDAZOLIUM SALTS AS HYPOGLYCEMIC AGENTS | ELI LILLY AND COMPANY (US) | 1989-09-20 | — | — | EP | disclosed |
| US-4683312-A | ANTIDIABETIC AGENTS | ELI LILLY AND COMPANY (US) | 1987-07-28 | — | — | US | disclosed |
| US-4609670-A | ANTIDIABETIC AGENTS | ELI LILLY AND COMPANY (US) | 1986-09-02 | — | — | US | disclosed |
| EP-0182533-A2 | 3-(2-Aryl-2-oxoethyl)-imidazolium salts as hypoglycemic agents | ELI LILLY AND COMPANY (US) | 1986-05-28 | — | — | EP | disclosed |