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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20464448 | 0.98 | ALDH1A1 (0.37) | ALDH1A1CYP4F2CYP4A11CYP1A2CYP2D6 | |
| Bromide SCHEMBL28242789 | 0.89 | CYP4F2 (0.43) | ALDH1A1CYP4F2CYP4A11CYP1A2CYP2D6 | |
| SCHEMBL859959 | 0.84 | — | — | |
| SCHEMBL21945129 | 0.82 | KCNH2 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24618609 | 0.78 | KCNH2 (0.38) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL294058 | 0.78 | KCNH2 (0.35) | ALDH1A1CYP4F2CYP4A11CYP1A2CYP2D6 | |
| SCHEMBL27710988 | 0.77 | KCNH2 (0.46) | KCNH2HDAC1 | |
| Bromide SCHEMBL28241983 | 0.76 | EPHX2 (0.44) | ALDH1A1CYP4F2CYP4A11KMT2AKCNH2 | |
| SCHEMBL23542447 | 0.76 | KCNH2 (0.36) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL294967 | 0.76 | HDAC1 (0.36) | ALDH1A1CYP4F2CYP4A11CYP1A2CYP2D6 |
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-108586344-A | Hydroxy functionalized pyrazolium ion liquid and the method for utilizing its catalytically synthesizing cyclic carbonate ester | 河南大学 | 2018-09-28 | — | — | CN | disclosed |