Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.94 |
| ▸ | TSHR | P16473 | 4/20 | 0.94 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20678561 | 0.97 | ALDH1A1 (1.00) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| SCHEMBL28378 | 0.97 | ALDH1A1 (1.00) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| SCHEMBL21065752 | 0.94 | ALDH1A1 (0.94) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| Ammonia Solution, Strong SCHEMBL696967 | 0.94 | ALDH1A1 (0.94) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| SCHEMBL15346028 | 0.94 | ALDH1A1 (0.94) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| Lithium Ion SCHEMBL19732784 | 0.94 | ALDH1A1 (0.94) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| Hydrochloric Acid SCHEMBL2861537 | 0.94 | ALDH1A1 (0.94) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| SCHEMBL29910586 | 0.94 | ALDH1A1 (0.94) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| Methyl Alcohol SCHEMBL9500919 | 0.91 | ALDH1A1 (0.88) | ALDH1A1TSHRALOX15HSD17B10TDP1 | |
| Fluoride Ion SCHEMBL3700549 | 0.91 | ALDH1A1 (0.88) | ALDH1A1TSHRALOX15HSD17B10TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3692101-B1 | BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES | ALFA INSTR S R L (IT) | 2022-01-12 | — | — | EP | claimed |
| EP-3692101-A1 | BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES | Alfa Instruments S.r.l. (IT) | 2020-08-12 | — | — | EP | claimed |
| WO-2019068935-A1 | BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES | ALFA INSTRUMENTS S.R.L. (IT) | 2019-04-11 | — | — | WO | claimed |
| EP-3692101-B1 | BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES | ALFA INSTR S R L (IT) | 2022-01-12 | — | — | EP | disclosed |
| EP-3692101-A1 | BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES | Alfa Instruments S.r.l. (IT) | 2020-08-12 | — | — | EP | disclosed |
| WO-2019068935-A1 | BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES | ALFA INSTRUMENTS S.R.L. (IT) | 2019-04-11 | — | — | WO | disclosed |