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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.36 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 7/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7425283 | 0.81 | ACHE (0.42) | ACHEHTR2AHTR2CHTR2BHTR1A | |
| Bromide SCHEMBL7388094 | 0.80 | KDM4E (0.33) | PDE4APDE4BPDE4CPDE4DKDM4E | |
| Bromide SCHEMBL7388095 | 0.80 | KDM4E (0.33) | PDE4APDE4BPDE4CPDE4DKDM4E | |
| Bromide SCHEMBL9475350 | 0.78 | ACHE (0.42) | ACHEPDE4AKDM4EMAPK1CASP1 | |
| Bromide SCHEMBL9475355 | 0.78 | ACHE (0.42) | ACHEPDE4AKDM4EMAPK1CASP1 | |
| SCHEMBL7429857 | 0.76 | CHEK1 (0.37) | ACHEHTR2AHTR2CHTR2BHTR1A | |
| Bromide SCHEMBL7433533 | 0.76 | PDE4A (0.33) | PDE4APDE4BPDE4CPDE4D | |
| Bromide SCHEMBL9475668 | 0.74 | KMT2A (0.40) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| Bromide SCHEMBL9475677 | 0.74 | KMT2A (0.40) | HTR2AHTR2CHTR2BKDM4EALDH1A1 | |
| SCHEMBL7569727 | 0.72 | ACHE (0.44) | ACHEHTR2AHTR2CHTR2BHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001064647-A1 | ISOQUINOLINE DERIVATIVES AS PDE4 INHIBITORS | SANOFI-SYNTHELABO (FR) | 2001-09-07 | — | — | WO | disclosed |