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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 10/20 | 0.41 |
| ▸ | ACHE known ✓ | P22303 | 6/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3424641 | 0.99 | ACHE (0.40) | CHKAACHEDHODHSNCANPC1 | |
| SCHEMBL3427370 | 0.97 | ACHE (0.40) | CHKAACHEDHODHSNCANPC1 | |
| SCHEMBL3419894 | 0.86 | AHR (0.44) | ACHENPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL3423867 | 0.86 | ADRA2C (0.42) | CHKAACHENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3426848 | 0.85 | ADRB1 (0.45) | ACHEALDH1A1 | |
| Bromide SCHEMBL3399233 | 0.85 | ACHE (0.56) | CHKAACHEDHODHSNCA | |
| SCHEMBL3425990 | 0.84 | CNR2 (0.47) | ACHETP53MEN1ALDH1A1MAPT | |
| Bromide SCHEMBL3398336 | 0.83 | CHKA (0.39) | CHKAACHEDHODHSNCASMN1; SMN2 | |
| SCHEMBL3423542 | 0.83 | ACHE (0.57) | CHKAACHEDHODHSNCA | |
| Bromide SCHEMBL3396992 | 0.83 | ACHE (0.57) | CHKAACHESNCA |
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 |