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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.55 |
| ▸ | FAAH | O00519 | 1/20 | 0.54 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.49 |
| ▸ | WNT3A | P56704 | 2/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL882670 | 0.98 | P2RX7 (0.56) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| SCHEMBL30481578 | 0.98 | P2RX7 (0.56) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| SCHEMBL11563546 | 0.83 | FAAH (0.64) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| Bromide SCHEMBL4772656 | 0.81 | P2RX7 (0.55) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| SCHEMBL11562641 | 0.80 | FAAH (0.74) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| SCHEMBL12208551 | 0.79 | P2RX7 (0.58) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| SCHEMBL4190449 | 0.78 | P2RX7 (0.56) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| SCHEMBL11449275 | 0.78 | P2RX7 (0.51) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| SCHEMBL5163484 | 0.78 | P2RX7 (0.51) | P2RX7FAAHCTNNB1WNT3AGRM4 | |
| SCHEMBL2293958 | 0.77 | P2RX7 (0.59) | P2RX7FAAHCTNNB1WNT3AGRM4 |
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-103360305-B | Substituted aryl piperazine aralkyl ketone derivatives and preparing the application in analgesic | JIANGSU NHWA PHARMACEUTICAL CO., LTD. (CN) | 2015-12-16 | — | — | CN | disclosed |