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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.31 |
| ▸ | PPID | Q08752 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28360815 | 0.99 | NPSR1 (0.33) | NPSR1MAPK1ALDH1A1ALDH2ALDH3A1 | |
| Bromide SCHEMBL28360884 | 0.85 | CCNC (0.32) | NPSR1TSHRCYP2C19KDM4EMAPT | |
| SCHEMBL28360830 | 0.85 | CCNC (0.33) | NPSR1TSHROPRD1OPRK1CYP2C19 | |
| Hydrochloric Acid SCHEMBL28357046 | 0.80 | GAA (0.41) | NPSR1ALDH1A1HPGDMEN1KMT2A | |
| Bromide SCHEMBL28357038 | 0.78 | NOTUM (0.36) | NPSR1MAPK1ALDH1A1HPGDMEN1 | |
| SCHEMBL28360820 | 0.77 | PPID (0.35) | NPSR1MAPK1ALDH1A1HPGDMEN1 | |
| SCHEMBL28357385 | 0.76 | NOTUM (0.37) | NPSR1MAPK1ALDH1A1HPGDMEN1 | |
| Hydrochloric Acid SCHEMBL28360861 | 0.76 | PPID (0.34) | NPSR1MAPK1HPGDMEN1KMT2A | |
| SCHEMBL11848955 | 0.70 | EPHX1 (0.32) | TP53TSHRCYP2C9 | |
| SCHEMBL3836530 | 0.69 | HDAC4 (0.39) | NPSR1MEN1KMT2ATSHROPRM1 |
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 |