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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL2930328 | 0.79 | ALDH1A1 (0.42) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| Bromide SCHEMBL2930327 | 0.79 | ALDH1A1 (0.42) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| SCHEMBL12126784 | 0.77 | ALDH1A1 (0.43) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| Bromide SCHEMBL1339379 | 0.73 | MAPT (0.41) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| Bromide SCHEMBL1339378 | 0.73 | MAPT (0.41) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| SCHEMBL8800643 | 0.72 | MAPT (0.41) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| SCHEMBL8800647 | 0.72 | MAPT (0.41) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| Bromide SCHEMBL1340475 | 0.71 | MAPK1 (0.41) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| Bromide SCHEMBL1340343 | 0.68 | MAPT (0.38) | KDM4EALDH1A1HTTTSHRMAPK1 | |
| Bromide SCHEMBL1340342 | 0.68 | MAPT (0.38) | KDM4EALDH1A1HTTTSHRMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6191124-B1 | VIRICIDES | PHARMACIA & UPJOHN COMPANY | 2001-02-20 | — | — | US | disclosed |
| EP-0757692-A1 | METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-12 | — | — | EP | disclosed |
| WO-1995029922-A1 | METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-09 | — | — | WO | disclosed |