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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 10/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.47 |
| ▸ | HTR3B | O95264 | 4/20 | 0.47 |
| ▸ | HTR3A | P46098 | 4/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | KHK | P50053 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3427528 | 0.99 | ACHE (0.54) | ACHEADRB1HTR3EHTR3BHTR3A | |
| Bromide SCHEMBL3396992 | 0.87 | ACHE (0.57) | ACHE | |
| Bromide SCHEMBL3399233 | 0.86 | ACHE (0.56) | ACHE | |
| SCHEMBL3428046 | 0.85 | ACHE (0.59) | ACHE | |
| Bromide SCHEMBL3396144 | 0.84 | ACHE (0.54) | ACHEHTR3AALDH1A1KDM1A | |
| SCHEMBL3393908 | 0.84 | ACHE (0.48) | ACHEADRB1KHKALDH1A1HTR6 | |
| SCHEMBL3423542 | 0.84 | ACHE (0.57) | ACHE | |
| SCHEMBL3426848 | 0.84 | ADRB1 (0.45) | ACHEADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL3427456 | 0.83 | ACHE (0.56) | ACHEHTR3AALDH1A1KDM1A | |
| SCHEMBL3421081 | 0.83 | ACHE (0.56) | ACHEUSP2ALDH1A1HSD17B10 |
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 |