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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.42 |
| ▸ | WNT3A | P56704 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28841411 | 0.99 | NPC1 (0.48) | NPC1KMT2AMEN1CTSDALDH1A1 | |
| Bromide SCHEMBL3850385 | 0.83 | RAB9A (0.53) | NPC1KMT2AMEN1ALDH1A1HTT | |
| Bromide SCHEMBL10528522 | 0.83 | KMT2A (0.47) | KMT2AMEN1CTSDALDH1A1HTT | |
| Bromide SCHEMBL10529228 | 0.82 | ERCC5 (0.43) | KMT2AHTTCTNNB1WNT3A | |
| SCHEMBL29794018 | 0.80 | ERCC5 (0.44) | KMT2AHTTCTNNB1WNT3A | |
| SCHEMBL28841331 | 0.80 | KMT2A (0.55) | NPC1KMT2AMEN1ALDH1A1HTT | |
| Bromide SCHEMBL3845509 | 0.77 | NPC1 (0.46) | NPC1KMT2AMEN1ALDH1A1RAB9A | |
| SCHEMBL28841440 | 0.77 | ALDH1A1 (0.49) | KMT2AMEN1ALDH1A1HTTPOLB | |
| SCHEMBL29793989 | 0.76 | PDE4B (0.53) | KMT2AMEN1ALDH1A1HTTCTNNB1 | |
| SCHEMBL28841328 | 0.76 | PDE4B (0.53) | KMT2AMEN1ALDH1A1HTTCTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1013444-B | PROCESS FOR THE PREPARATION OF A NOVEL CLASS OF HYPOGLYCEMIC AGENTS | LILLY CO ELI (US) | 1991-08-07 | — | — | CN | disclosed |
| 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 |
| CN-85108115-A | The preparation method of new low point hypoglycaemic agent | — | 1986-07-30 | — | — | CN | disclosed |
| EP-0182533-A2 | 3-(2-Aryl-2-oxoethyl)-imidazolium salts as hypoglycemic agents | ELI LILLY AND COMPANY (US) | 1986-05-28 | — | — | EP | disclosed |