Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzyl 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 | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.78 |
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.78 |
| ▸ | CES2 | O00748 | 2/20 | 0.64 |
| ▸ | CES1 | P23141 | 2/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzyl Bromide SCHEMBL28152944 | 0.97 | ALDH1A1 (0.74) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL27618232 | 0.97 | ALDH1A1 (0.74) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL1233939 | 0.90 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL9087122 | 0.90 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL1233938 | 0.90 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL27520612 | 0.90 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL5964841 | 0.88 | — | — | |
| Benzyl Bromide SCHEMBL1331189 | 0.88 | — | — | |
| Benzyl Bromide SCHEMBL9000955 | 0.88 | TSHR (1.00) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL1066 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111819184-B | Synthetic oligosaccharide derivatives as vaccine against bordetella pertussis | 芬兰疫苗研究所 | 2024-01-12 | — | — | CN | disclosed |
| CN-111819184-A | Synthetic oligosaccharide derivatives as vaccines against bordetella pertussis | 芬兰疫苗研究所 | 2020-10-23 | — | — | CN | disclosed |
| US-6270957-B1 | USEFUL IN THE TREATMENT AND PREVENTION OF HIV (HUMAN IMMUNODEFICIENCY VIRUS)-MEDIATED DISORDERS, INCLUDING AIDS (ACQUIRE IMMUNODEFICIENCY SYNDROME) | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2001-08-07 | — | — | US | disclosed |
| WO-1999010373-A1 | NON-IMMUNOSUPPRESSIVE CYCLOSPORINS AND THEIR USE IN THE PREVENTION AND TREATMENT OF HIV INFECTION | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1999-03-04 | — | — | WO | disclosed |