Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 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 | |
|---|---|---|---|---|
| SCHEMBL24723407 | 0.92 | ALDH1A1 (0.36) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 | |
| SCHEMBL23637457 | 0.89 | PDK2 (0.43) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 | |
| SCHEMBL24723470 | 0.88 | ALDH1A1 (0.36) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 | |
| SCHEMBL16017142 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 | |
| SCHEMBL24723597 | 0.85 | PDK2 (0.40) | ALDH1A1PDK2MEN1KMT2AMAPT | |
| SCHEMBL22891473 | 0.85 | PDK2 (0.49) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 | |
| SCHEMBL22891731 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 | |
| SCHEMBL22891421 | 0.83 | PDK2 (0.48) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 | |
| SCHEMBL23637465 | 0.82 | ALDH1A1 (0.33) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 | |
| SCHEMBL24723468 | 0.82 | ALDH1A1 (0.34) | ALDH1A1HPGDCYP3A4HSD17B10PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021141356-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-07-15 | — | — | WO | disclosed |