Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | TK1 | P04183 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | DPYD | Q12882 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680279 | 0.77 | TSHR (0.41) | TSHRHCAR2CDK5CDK5R1ALDH1A1 | |
| SCHEMBL9449305 | 0.75 | SMN1; SMN2 (0.47) | TSHRHCAR2CDK5CDK5R1ALDH1A1 | |
| SCHEMBL9455953 | 0.74 | TSHR (0.38) | TSHRHCAR2CDK5CDK5R1ALDH1A1 | |
| SCHEMBL14394524 | 0.64 | TSHR (0.62) | TSHRALDH1A1DAOLMNAMAPK1 | |
| SCHEMBL28301231 | 0.63 | TSHR (0.83) | TSHRALDH1A1DAOMAPK1 | |
| Propane SCHEMBL11584021 | 0.63 | TSHR (0.83) | TSHRALDH1A1MAPK1 | |
| Benzoquinone SCHEMBL8469988 | 0.61 | TSHR (0.71) | TSHRALDH1A1DAOLMNAMAPK1 | |
| SCHEMBL20599933 | 0.61 | TYMP (0.50) | TSHRALDH1A1LMNA | |
| SCHEMBL5311581 | 0.60 | TSHR (1.00) | TSHRALDH1A1LMNA | |
| SCHEMBL27380 | 0.60 | TSHR (1.00) | TSHRALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |