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 | 8/20 | 0.46 |
| ▸ | CHKA known ✓ | P35790 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | RAD52 | P43351 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3424673 | 0.99 | ACHE (0.47) | ACHELMNAKDM4EHTTRAB9A | |
| Bromide SCHEMBL3392109 | 0.86 | ACHE (0.64) | ACHEKDM4ERAB9AALDH1A1MAPT | |
| SCHEMBL3423158 | 0.85 | ACHE (0.66) | ACHEKDM4ERAB9AALDH1A1MAPT | |
| Bromide SCHEMBL3396190 | 0.85 | ACHE (0.40) | ACHERAB9AMEN1KMT2AL3MBTL1 | |
| SCHEMBL3423371 | 0.84 | CNR2 (0.41) | ACHELMNAALDH1A1MAPTMEN1 | |
| SCHEMBL3425204 | 0.83 | ACHE (0.41) | ACHERAB9AMAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3397163 | 0.82 | ACHE (0.40) | ACHEKDM4ERAB9AMEN1KMT2A | |
| Bromide SCHEMBL3399159 | 0.82 | ACHE (0.45) | ACHELMNAHTTMAPTMEN1 | |
| SCHEMBL3425651 | 0.81 | ACHE (0.55) | ACHELMNAKDM4EHTTRAB9A | |
| SCHEMBL3426006 | 0.80 | ACHE (0.46) | ACHEMAPTMEN1KMT2ASMN1; SMN2 |
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-2245013-A1 | 9-Ý4-(AMINO) PHENYL¨ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS | Henkel AG & Co. KGaA (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009103798-A1 | 9-[4-(AMINO) PHENYL] ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS | HENKEL AG & CO. KGAA (DE) | 2009-08-27 | — | — | WO | disclosed |