Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 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 | |
|---|---|---|---|---|
| SCHEMBL27309907 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HPGDHSD17B10PDK2 | |
| SCHEMBL16017141 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HPGDHSD17B10PDK2 | |
| SCHEMBL16017111 | 0.91 | PDK2 (0.42) | ALDH1A1CYP3A4HPGDHSD17B10PDK2 | |
| SCHEMBL29907923 | 0.90 | PDK2 (0.48) | ALDH1A1PDK2CNR1MAPTMEN1 | |
| SCHEMBL15677718 | 0.90 | PDK2 (0.48) | ALDH1A1PDK2CNR1MAPTMEN1 | |
| SCHEMBL15677716 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDHSD17B10PDK2 | |
| SCHEMBL30455829 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDHSD17B10PDK2 | |
| SCHEMBL22182348 | 0.87 | PDK2 (0.46) | ALDH1A1PDK2CNR1MAPTMEN1 | |
| SCHEMBL22920962 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CYP3A4HPGDHSD17B10PDK2 | |
| SCHEMBL23697143 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP3A4HPGDHSD17B10PDK2 |
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-118488943-A | Compound and organic light emitting device comprising the same | 株式会社LG化学 | 2024-08-13 | — | — | CN | disclosed |