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 | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.41 |
| ▸ | HTR3B | O95264 | 3/20 | 0.41 |
| ▸ | HTR3A | P46098 | 3/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 3/20 | 0.36 |
| ▸ | BMP4 | P12644 | 2/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 3/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3425616 | 0.99 | ADRB1 (0.42) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL3394153 | 0.98 | ADRB1 (0.41) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Bromide SCHEMBL3393302 | 0.89 | CHKA (0.39) | ALDH1A1TSHRHSD17B10 | |
| Bromide SCHEMBL3398336 | 0.88 | CHKA (0.39) | ALDH1A1 | |
| SCHEMBL3421102 | 0.88 | CHKA (0.36) | ALDH1A1TSHRHSD17B10HTR7 | |
| Bromide SCHEMBL3398605 | 0.87 | MAPT (0.39) | KDM1AALDH1A1TSHRTGFBR1KDR | |
| Hydrochloric Acid SCHEMBL3399953 | 0.86 | CHKA (0.36) | ALDH1A1TSHRHSD17B10HTR7 | |
| SCHEMBL3424395 | 0.86 | CHKA (0.38) | USP2ALDH1A1TSHRHSD17B10 | |
| Bromide SCHEMBL3398910 | 0.86 | ADRA2C (0.41) | HTR3ASIGMAR1KDM1AALDH1A1HTR6 | |
| SCHEMBL3424151 | 0.85 | HTR6 (0.40) | ADRB1ALDH1A1HTR6HTR5AKHK |
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 |