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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.60 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.54 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.54 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.54 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.54 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.54 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.54 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.54 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.53 |
| ▸ | FRK | P42685 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29229964 | 0.99 | PTGS2 (0.61) | PTGS2MAP4K4MAPK9CSNK1A1CSNK1D | |
| SCHEMBL8112876 | 0.84 | PTGS2 (0.70) | PTGS2MAP4K4MAPK9CSNK1A1CSNK1D | |
| SCHEMBL27820750 | 0.81 | PTGS2 (0.64) | PTGS2MAP4K4MAPK9CSNK1A1CSNK1D | |
| SCHEMBL8113496 | 0.80 | PTGS2 (0.58) | PTGS2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL30023059 | 0.78 | PTGS2 (0.68) | PTGS2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9192919 | 0.77 | PTGS2 (0.59) | PTGS2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27934239 | 0.77 | PTGS2 (0.53) | PTGS2MAP4K4MAPK9CSNK1A1CSNK1D | |
| SCHEMBL10969997 | 0.76 | PTGS2 (0.66) | PTGS2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14288452 | 0.75 | MAP4K4 (0.86) | PTGS2MAP4K4MAPK9CSNK1A1CSNK1D | |
| SCHEMBL27915709 | 0.74 | PTGS2 (0.50) | PTGS2HDAC3HDAC4HDAC1HDAC7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117946203-A | Glycyrrhetinic acid-gold complex and preparation method and application thereof | 南京中医药大学 | 2024-04-30 | — | — | CN | claimed |
| CN-117946203-A | Glycyrrhetinic acid-gold complex and preparation method and application thereof | 南京中医药大学 | 2024-04-30 | — | — | CN | disclosed |