Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23423839 | 0.90 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HSD17B10HPGDCYP26A1 | |
| SCHEMBL18553650 | 0.89 | KDM4E (0.53) | ALDH1A1CYP3A4HSD17B10HPGDCYP26A1 | |
| SCHEMBL31619333 | 0.89 | KDM4E (0.53) | ALDH1A1CYP3A4HSD17B10HPGDCYP26A1 | |
| SCHEMBL9912849 | 0.87 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HSD17B10HPGDCYP26A1 | |
| SCHEMBL19151980 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CYP3A4HSD17B10HPGDCYP26A1 | |
| SCHEMBL9912987 | 0.86 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL23423484 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HSD17B10HPGDCYP26A1 | |
| SCHEMBL23423632 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HSD17B10HPGDCYP26A1 | |
| SCHEMBL23561423 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL25551758 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HSD17B10HPGDCYP26A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8198801-B2 | Materials for injecting or transporting holes and organic electroluminescence devices using the same | LG CHEM, LTD. (KR) | 2012-06-12 | — | — | US | disclosed |
| US-8198801-B2 | Materials for injecting or transporting holes and organic electroluminescence devices using the same | LG CHEM, LTD. (KR) | 2012-06-12 | — | — | US | disclosed |