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 | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM4B | O94953 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539812 | 0.98 | HPGD (0.52) | HPGDCYP1A2TMIGD3CYP2C9ADORA1 | |
| SCHEMBL12340471 | 0.76 | CYP1A2 (0.42) | HPGDCYP1A2TMIGD3CYP2C9ADORA1 | |
| SCHEMBL13693761 | 0.76 | HTT (0.43) | CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1 | |
| SCHEMBL8407756 | 0.74 | CYP1A2 (0.41) | HPGDCYP1A2TMIGD3CYP2C9ADORA1 | |
| SCHEMBL503829 | 0.74 | CYP1A2 (0.41) | HPGDCYP1A2TMIGD3CYP2C9ADORA1 | |
| SCHEMBL17773604 | 0.71 | — | — | |
| SCHEMBL7857005 | 0.70 | — | — | |
| SCHEMBL16975043 | 0.66 | PDPK1 (0.51) | HPGDCYP1A2TMIGD3CYP2C9ADORA1 | |
| SCHEMBL2830891 | 0.66 | — | — | |
| SCHEMBL22488626 | 0.66 | CYP1A2 (0.43) | HPGDCYP1A2TMIGD3CYP2C9ADORA1 |
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-108395408-B | Drug intermediate and preparation method thereof | 杰达维（上海）医药科技发展有限公司 | 2021-03-09 | — | — | CN | disclosed |