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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 4/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9763534 | 0.82 | KDM4E (0.42) | KDM4EALDH1A1TDP1L3MBTL1PDE10A | |
| SCHEMBL9763456 | 0.82 | KDM4E (0.44) | KDM4EALDH1A1TDP1L3MBTL1PDE10A | |
| SCHEMBL9764173 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1TDP1L3MBTL1PDE10A | |
| Bromide SCHEMBL9763462 | 0.72 | MAPK14 (0.41) | PTGS2 | |
| SCHEMBL9764267 | 0.71 | KDM4E (0.46) | KDM4EALDH1A1TDP1L3MBTL1PDE10A | |
| SCHEMBL9763582 | 0.69 | HMGCR (0.49) | — | |
| Bromide SCHEMBL6089989 | 0.69 | HMGCR (0.62) | KMT2APTGS2 | |
| SCHEMBL9335250 | 0.66 | USP14 (0.38) | KDM4EALDH1A1TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9730988 | 0.65 | IDO1 (0.38) | KDM4EALDH1A1LMNAMAPTPTGS2 | |
| SCHEMBL2676351 | 0.64 | KDM4E (0.48) | KDM4EALDH1A1TDP1L3MBTL1PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| US-5004747-A | Isoquinolinones | MAY & BAKER LIMITED (GB) | 1991-04-02 | — | — | US | disclosed |
| EP-0326386-A2 | Isoquinolinones | MAY & BAKER LIMITED (GB) | 1989-08-02 | — | — | EP | disclosed |