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 | 2/20 | 0.41 |
| ▸ | CHKA known ✓ | P35790 | 1/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3427064 | 0.99 | ADRA2C (0.42) | ADRA2CADRA2AACHEKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL3396430 | 0.98 | ADRA2C (0.41) | ADRA2CADRA2AACHEKDM4EMAPT | |
| Bromide SCHEMBL3393302 | 0.89 | CHKA (0.39) | ACHEKDM4EMAPTNPC1RAB9A | |
| Bromide SCHEMBL3398336 | 0.88 | CHKA (0.39) | ACHEKDM4ESMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL3421102 | 0.88 | CHKA (0.36) | ADRA2CADRA2AACHEKDM4EMAPT | |
| Bromide SCHEMBL3398605 | 0.87 | MAPT (0.39) | ACHEKDM4EMAPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL3399953 | 0.86 | CHKA (0.36) | ACHEKDM4EMAPTNPC1RAB9A | |
| SCHEMBL3424395 | 0.86 | CHKA (0.38) | ACHEKDM4EMAPTNPC1RAB9A | |
| SCHEMBL3400103 | 0.86 | KMT2A (0.37) | ADRA2CADRA2AACHEMAPTALDH1A1 | |
| Bromide SCHEMBL3395953 | 0.86 | ADRB1 (0.41) | KDM1AALDH1A1HTR3AHTR7HTR6 |
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 |