Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2303084 | 0.79 | ALDH1A1 (0.41) | NQO1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL5994233 | 0.74 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPK1CYP1A2CYP2A6 | |
| SCHEMBL29019716 | 0.71 | TRPM4 (0.43) | MAPTALDH1A1KDM4ECYP1A2CYP2A6 | |
| SCHEMBL5599012 | 0.70 | ALDH1A1 (0.41) | NQO1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL16909846 | 0.69 | NQO1 (0.46) | NQO1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL27994733 | 0.68 | TRPM4 (0.36) | MAPTALDH1A1KDM4ECYP1A2CYP2A6 | |
| SCHEMBL221122 | 0.67 | MAPT (0.44) | NQO1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL15353265 | 0.67 | CYP2A6 (0.39) | NQO1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL10897643 | 0.65 | CYP1A2 (0.52) | NQO1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL19612347 | 0.65 | ALDH1A1 (0.48) | NQO1MAPTALDH1A1KDM4ESMN1; SMN2 |
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-116964060-A | Novel compound and organic light emitting device comprising the same | 株式会社LG化学 | 2023-10-27 | — | — | CN | disclosed |