Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1226877 | 0.99 | APP (0.42) | APPFBP1RAB9ACYP19A1BCHE | |
| SCHEMBL1226875 | 0.99 | APP (0.42) | APPFBP1RAB9ACYP19A1BCHE | |
| SCHEMBL1226876 | 0.99 | APP (0.42) | APPFBP1RAB9ACYP19A1BCHE | |
| SCHEMBL12160328 | 0.82 | ERN1 (0.44) | RAB9AMAPTALDH1A1GAAMEN1 | |
| SCHEMBL13698927 | 0.80 | APP (0.34) | APPRAB9AMAOBMAPTMEN1 | |
| SCHEMBL29012247 | 0.80 | APP (0.34) | APPRAB9AMAOBMAPTMEN1 | |
| SCHEMBL29653731 | 0.80 | APP (0.34) | APPRAB9AMAOBMAPTMEN1 | |
| SCHEMBL14434778 | 0.78 | APP (0.39) | APPMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL13138317 | 0.78 | RELA (0.45) | APPRAB9AMAPTALDH1A1MEN1 | |
| SCHEMBL9812776 | 0.78 | RELA (0.45) | APPRAB9AMAPTALDH1A1MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459738-B1 | NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES | BIOMERIEUX SA (FR) | 2014-10-29 | — | — | EP | claimed |
| EP-2459738-A2 | NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES | Biomérieux (FR) | 2012-06-06 | — | — | EP | claimed |
| WO-2011012826-A2 | NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES | bioMérieux (FR) | 2011-02-03 | — | — | WO | claimed |
| EP-2459738-B1 | NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES | BIOMERIEUX SA (FR) | 2014-10-29 | — | — | EP | disclosed |
| EP-2459738-A2 | NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES | Biomérieux (FR) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011012826-A2 | NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES | bioMérieux (FR) | 2011-02-03 | — | — | WO | disclosed |