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 | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.44 |
| ▸ | CHRNA10 | Q9GZZ6 | 3/20 | 0.44 |
| ▸ | CHRNA9 | Q9UGM1 | 3/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 5/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 3/20 | 0.37 |
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 SCHEMBL11090826 | 0.99 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11316127 | 0.98 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Bromide SCHEMBL11097110 | 0.84 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Bromide SCHEMBL11089523 | 0.80 | MAOB (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Bromide SCHEMBL11088807 | 0.79 | FOXM1 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Bromide SCHEMBL11094389 | 0.79 | MAOB (0.48) | MAOB | |
| Bromide SCHEMBL11095141 | 0.79 | ACHE (0.39) | MAOBXDH | |
| SCHEMBL11294334 | 0.79 | ACHE (0.39) | MAOBXDH | |
| Hydrochloric Acid SCHEMBL11097325 | 0.78 | ACHE (0.39) | MAOBXDH | |
| Hydrochloric Acid SCHEMBL11091733 | 0.74 | ACHE (0.40) | XDH |
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 |
|---|---|---|---|---|---|---|---|
| EP-0057362-B1 | DIBENZOFURANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BASF Aktiengesellschaft (DE) | 1984-06-20 | — | — | EP | disclosed |
| US-4376776-A | Dibenzofuran derivatives and their use for controlling fungi | BASF AKTIENGESELLSCHAFT (DE) | 1983-03-15 | — | — | US | disclosed |
| EP-0057362-A1 | Dibenzofurane derivatives, process for their preparation and their use as fungicides | BASF Aktiengesellschaft (DE) | 1982-08-11 | — | — | EP | disclosed |