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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.54 |
| ▸ | MMP1 | P03956 | 6/20 | 0.47 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.46 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.45 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13033619 | 0.97 | LDHA (0.57) | LDHAMMP1SAE1UBA2MMP3 | |
| SCHEMBL8645164 | 0.97 | LDHA (0.57) | LDHAMMP1SAE1UBA2MMP3 | |
| SCHEMBL14942967 | 0.84 | LDHA (0.57) | LDHAMMP1SAE1UBA2MMP3 | |
| SCHEMBL16063575 | 0.84 | LDHA (0.67) | LDHAMMP1MMP3MMP9MMP2 | |
| SCHEMBL995624 | 0.84 | LDHA (0.67) | LDHAMMP1MMP3MMP9MMP2 | |
| SCHEMBL2029603 | 0.84 | LDHA (0.67) | LDHAMMP1MMP3MMP9MMP2 | |
| SCHEMBL19545998 | 0.84 | LDHA (0.57) | LDHAMMP1SAE1UBA2MMP3 | |
| SCHEMBL18647565 | 0.83 | GAA (0.62) | — | |
| SCHEMBL16173536 | 0.83 | GAA (0.62) | — | |
| SCHEMBL12733139 | 0.83 | POLB (0.51) | KMT2A |
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-107445851-A | Method for continuously synthesizing quaternary ammonium salt by using micro-reaction device | 南京工业大学 | 2017-12-08 | — | — | CN | disclosed |