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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 12/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 11/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 11/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 8/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.41 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10910493 | 0.79 | AHR (0.50) | KDM4EALDH1A1HPGDGAAAHR | |
| Bromide SCHEMBL11184228 | 0.78 | MAOB (0.45) | ALDH1A1AHRMAPTMEN1TP53 | |
| SCHEMBL10910702 | 0.77 | CA12 (0.50) | KDM4EALDH1A1HPGDGAAAHR | |
| Bromide SCHEMBL11171101 | 0.77 | CHRNA7 (0.47) | CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9 | |
| SCHEMBL11102528 | 0.77 | AHR (0.45) | KDM4EALDH1A1HPGDGAAAHR | |
| SCHEMBL1793457 | 0.77 | TERT (0.59) | CHRNA7CHRNB4CHRNA3KDM4EALDH1A1 | |
| SCHEMBL10908449 | 0.76 | AHR (0.47) | KDM4EALDH1A1HPGDGAAAHR | |
| SCHEMBL10648717 | 0.76 | MAOB (0.52) | AHRACHEMAOB | |
| Bromide SCHEMBL28345191 | 0.74 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Bromide SCHEMBL29894070 | 0.74 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |