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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYBB | P04839 | 2/20 | 0.42 |
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.42 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27577482 | 0.99 | KCNH2 (0.46) | KCNH2DRD2IGF1RCACNA1GMAPT | |
| Bromide SCHEMBL27577479 | 0.90 | KDM4E (0.46) | KCNH2DRD2IGF1RCACNA1GMAPT | |
| SCHEMBL27568494 | 0.89 | KDM4E (0.47) | KCNH2DRD2IGF1RCACNA1GMAPT | |
| SCHEMBL27545676 | 0.85 | DRD4 (0.50) | KCNH2DRD2IGF1RCACNA1GMAPT | |
| Bromide SCHEMBL7773413 | 0.83 | HTR2A (0.46) | KCNH2DRD2MAPTKDM4EALDH1A1 | |
| SCHEMBL7773359 | 0.82 | HTR2A (0.47) | KCNH2DRD2MAPTKDM4EALDH1A1 | |
| SCHEMBL27565676 | 0.80 | CACNA1G (0.51) | KCNH2DRD2IGF1RCACNA1GMAPT | |
| Bromide SCHEMBL27545647 | 0.78 | MAPT (0.42) | KCNH2DRD2IGF1RCACNA1GMAPT | |
| Bromide SCHEMBL27565682 | 0.77 | KCNH2 (0.50) | KCNH2DRD2MAPTALDH1A1DRD4 | |
| Bromide SCHEMBL7773368 | 0.75 | ALDH1A1 (0.47) | KCNH2DRD2IGF1RMAPTKDM4E |
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-1325397-A | 2-piperazino alkylatnino benzoazole derivatives: dopamine receptor subtype sepcific ligands | NEUROGEN CORP (US) | 2001-12-05 | — | — | CN | claimed |