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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Succinic Acid SCHEMBL7629002 | 0.88 | CYP3A4 (0.60) | CYP3A4TDP1NR4A2ESR1ESR2 | |
| SCHEMBL4258637 | 0.80 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL27501779 | 0.79 | CYP3A4 (0.40) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Carbamic Acid SCHEMBL27641323 | 0.79 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Butyric Acid SCHEMBL10187724 | 0.78 | FFAR3 (0.52) | CYP3A4TDP1NR4A2ESR1ESR2 | |
| SCHEMBL435538 | 0.76 | CYP3A4 (0.50) | CYP3A4TDP1NR4A2ESR1ESR2 | |
| R-Chloropropionate SCHEMBL9049894 | 0.76 | CYP3A4 (0.50) | CYP3A4TDP1NR4A2ESR1ESR2 | |
| Butyric Acid SCHEMBL10589842 | 0.76 | HDAC3 (0.54) | CYP3A4TDP1NR4A2ESR1ESR2 | |
| SCHEMBL29106838 | 0.76 | TSHR (0.54) | CYP3A4TDP1NR4A2ESR1ESR2 | |
| Chlorobenzene SCHEMBL27839339 | 0.76 | NR4A2 (0.47) | NR4A2KEAP1ALDH1A1CYP2C19GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113896915-B | Gel material and preparation method and application thereof | 爱美客技术发展股份有限公司 | 2024-02-13 | — | — | CN | disclosed |