Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 8/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL22799488 | 0.93 | PDK2 (0.48) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL21881099 | 0.93 | PDK2 (0.49) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL24406657 | 0.85 | PDK2 (0.46) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL22797336 | 0.85 | PDK2 (0.43) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL23485173 | 0.85 | PDK2 (0.43) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL23485172 | 0.85 | PDK2 (0.43) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL29501082 | 0.85 | PDK2 (0.43) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL30805708 | 0.84 | PDK2 (0.50) | PDK2AKR1A1AKR1B1PGR | |
| SCHEMBL21037250 | 0.84 | PDK2 (0.50) | PDK2AKR1A1AKR1B1PGR | |
| SCHEMBL19934339 | 0.84 | ALDH1A1 (0.52) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 |
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-2020248943-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2020-12-17 | — | — | WO | disclosed |