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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28360830 | 0.98 | CCNC (0.33) | CCNCCDK8KDM4EMAPTATM | |
| Bromide SCHEMBL28356974 | 0.85 | NPSR1 (0.33) | KDM4EMAPTNPSR1TSHRCYP2C19 | |
| SCHEMBL28360815 | 0.84 | NPSR1 (0.33) | KDM4EMAPTNPSR1TSHRCYP2C19 | |
| Bromide SCHEMBL28357038 | 0.80 | NOTUM (0.36) | KDM4EMAPTATMNPSR1CYP46A1 | |
| SCHEMBL28357385 | 0.78 | NOTUM (0.37) | KDM4EMAPTATMNPSR1CYP46A1 | |
| Hydrochloric Acid SCHEMBL28357122 | 0.78 | P2RX7 (0.40) | CCNCCDK8KDM4EMAPTCYP3A4 | |
| Bromide SCHEMBL29152398 | 0.78 | P2RX7 (0.40) | CCNCCDK8KDM4EMAPTCYP3A4 | |
| SCHEMBL9097301 | 0.77 | P2RX7 (0.41) | CCNCCDK8KDM4EMAPTCYP3A4 | |
| SCHEMBL28357011 | 0.75 | ALDH1A1 (0.41) | KDM4EMAPTATMNPSR1 | |
| Hydrochloric Acid SCHEMBL32691838 | 0.72 | RHEB (0.42) | CCNCCDK8KDM4EMAPT |
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-110642778-A | Viologen compound, preparation method and application thereof | 淮阴师范学院 | 2020-01-03 | — | — | CN | disclosed |