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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 13/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8549592 | 0.89 | GSK3B (0.40) | GSK3BSCDCHRM4EP300HTR4 | |
| SCHEMBL8553958 | 0.80 | GSK3B (0.42) | GSK3BEP300HTR4 | |
| Bromide SCHEMBL8551655 | 0.72 | LMNA (0.38) | SCDCHRM4EP300 | |
| SCHEMBL8551232 | 0.71 | LMNA (0.39) | SCDCHRM4EP300 | |
| SCHEMBL8551225 | 0.71 | LMNA (0.39) | SCDCHRM4EP300 | |
| Bromide SCHEMBL8554224 | 0.68 | MAPT (0.50) | — | |
| SCHEMBL8550534 | 0.67 | KMT2A (0.44) | — | |
| SCHEMBL8552049 | 0.67 | SMYD3 (0.43) | — | |
| SCHEMBL8554053 | 0.67 | MAPT (0.51) | — | |
| Bromide SCHEMBL8592755 | 0.67 | LMNA (0.37) | SCDCHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0858457-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | Dr. Karl Thomae GmbH (DE) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997015567-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | DR. KARL THOMAE GMBH (DE) | 1997-05-01 | — | — | WO | disclosed |