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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 10/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | COL1A1 | P02452 | 2/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14131507 | 0.99 | ACHE (0.49) | ACHEKDM4EGLARCE1CHRNA7 | |
| SCHEMBL4764328 | 0.86 | ACHE (0.51) | ACHEKDM4EDNMT1KDM1ACOL1A1 | |
| Hydrochloric Acid SCHEMBL4110961 | 0.85 | ACHE (0.50) | ACHEKDM4EDNMT1KDM1ACOL1A1 | |
| SCHEMBL4771879 | 0.82 | ACHE (0.46) | ACHEKDM4EGLARCE1DNMT1 | |
| SCHEMBL4762866 | 0.82 | MAPT (0.43) | ACHEKDM4EDNMT1KDM1ACOL1A1 | |
| SCHEMBL4837359 | 0.82 | COL1A1 (0.48) | ACHEDNMT1KDM1ACOL1A1BCHE | |
| Bromide SCHEMBL10708277 | 0.82 | ACHE (0.42) | ACHEKDM4EGLARCE1CHRNA7 | |
| Hydrochloric Acid SCHEMBL4109381 | 0.81 | ACHE (0.45) | ACHEKDM4EGLARCE1DNMT1 | |
| Hydrochloric Acid SCHEMBL4097637 | 0.81 | MAPT (0.42) | ACHEKDM4EDNMT1KDM1ACOL1A1 | |
| Hydrochloric Acid SCHEMBL4098744 | 0.81 | COL1A1 (0.47) | ACHEDNMT1KDM1ACOL1A1BCHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1117627-B1 | TRANSFER HYDROGENATION PROCESS | AVECIA LTD (GB) | 2003-05-28 | — | — | EP | disclosed |
| US-6509467-B1 | Of iminium salts using transition metal complex catalyst | AVECIA LIMITED (GB) | 2003-01-21 | — | — | US | disclosed |
| EP-1117627-A1 | TRANSFER HYDROGENATION PROCESS | Avecia Limited (GB) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018708-A1 | TRANSFER HYDROGENATION PROCESS | AVECIA LIMITED (GB) | 2000-04-06 | — | — | WO | disclosed |