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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 12/20 | 0.39 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 SCHEMBL3393302 | 0.99 | CHKA (0.39) | CHKADHODHSNCABCHEACHE | |
| SCHEMBL3424395 | 0.99 | CHKA (0.38) | CHKADHODHSNCABCHEACHE | |
| SCHEMBL3421102 | 0.97 | CHKA (0.36) | CHKADHODHSNCAACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL3399953 | 0.96 | CHKA (0.36) | CHKADHODHSNCAACHEALDH1A1 | |
| Bromide SCHEMBL3398605 | 0.89 | MAPT (0.39) | ACHEALDH1A1KDM4ESMN1; SMN2MEN1 | |
| Bromide SCHEMBL3395953 | 0.88 | ADRB1 (0.41) | ALDH1A1 | |
| Bromide SCHEMBL3398910 | 0.88 | ADRA2C (0.41) | CHKAACHEALDH1A1KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3396117 | 0.86 | MAPT (0.39) | ACHEALDH1A1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL3427064 | 0.86 | ADRA2C (0.42) | CHKAACHEALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3425616 | 0.86 | ADRB1 (0.42) | ALDH1A1 |
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 |