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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | LATS1 | O95835 | 7/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.31 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23458586 | 0.99 | BRD4 (0.36) | BRD4LATS1KDM4EALDH1A1TGFBR1 | |
| SCHEMBL23486268 | 0.82 | MAPT (0.34) | KDM4EALDH1A1MEN1KMT2ANAMPT | |
| Bromide SCHEMBL23458460 | 0.82 | HPGD (0.36) | LATS1KDM4EALDH1A1DCTPP1MEN1 | |
| SCHEMBL23486254 | 0.81 | HPGD (0.37) | LATS1KDM4EALDH1A1DCTPP1MEN1 | |
| SCHEMBL23486135 | 0.78 | NPC1 (0.35) | KDM4EALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL23458449 | 0.77 | NAMPT (0.33) | LATS1KMT2ANAMPT | |
| SCHEMBL23486137 | 0.77 | KDM4E (0.33) | KDM4EALDH1A1 | |
| SCHEMBL23458446 | 0.76 | AHR (0.32) | KMT2ANAMPT | |
| SCHEMBL23486108 | 0.74 | ALDH1A1 (0.31) | ALDH1A1L3MBTL1 | |
| SCHEMBL23458471 | 0.72 | AHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021110890-A1 | PYRIDINIUM DERIVATIVES AS HERBICIDES | SYNGENTA CROP PROTECTION AG (CH) | 2021-06-10 | — | — | WO | disclosed |