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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL289269 | 0.96 | CES2 (0.59) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL29264798 | 0.93 | CES2 (0.65) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL993393 | 0.93 | CES2 (0.65) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL9861947 | 0.93 | CES2 (0.65) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL6141408 | 0.93 | CES2 (0.56) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL346017 | 0.93 | CES2 (0.65) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL31486636 | 0.93 | CES2 (0.65) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL29264799 | 0.93 | CES2 (0.65) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL6937404 | 0.93 | CES2 (0.65) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL29264800 | 0.93 | CES2 (0.65) | CES2CES1HDAC8HDAC6TSHR |
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-105377828-A | Method for manufacturing cyclic carbonate | NAT INST ADVANCED IND SCIENCE & TECH | 2016-03-02 | — | — | CN | disclosed |