Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 2/20 | 0.34 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21215169 | 1.00 | KDM4E (0.35) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13995529 | 0.66 | KDM4E (0.39) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL19969259 | 0.62 | LMNA (0.49) | KDM4EMEN1KMT2ANR5A1ESR1 | |
| SCHEMBL14141549 | 0.60 | NR5A1 (0.46) | NR5A1ESR1 | |
| SCHEMBL19969290 | 0.60 | LMNA (0.50) | KDM4EMEN1KMT2ANR5A1ESR1 | |
| SCHEMBL24319905 | 0.58 | KDM4E (0.44) | KDM4EMEN1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28662237 | 0.58 | GBA1 (0.39) | MEN1KMT2AGBA1NR5A1ALDH1A1 | |
| SCHEMBL19127440 | 0.57 | NR5A1 (0.42) | MEN1KMT2ANR5A1ESR1ALDH1A1 | |
| SCHEMBL2321510 | 0.57 | ALDH1A1 (0.53) | GBA1ALDH1A1TDP1 | |
| SCHEMBL1706788 | 0.57 | ALDH1A1 (0.53) | GBA1ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3743410-B1 | USE OF PYRIDOXAL ACETAL SALTS AS WATER-TRIGGERED PROFRAGRANCES | FLORIDA GULF COAST UNIV BOARD OF TRUSTEES (US) | 2023-10-25 | — | — | EP | disclosed |