Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | STK10 | O94804 | 1/20 | 0.30 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20618648 | 1.00 | NPC1 (0.41) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL21926641 | 0.95 | ALDH1A1 (0.41) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL20618652 | 0.89 | PDK2 (0.38) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL21926724 | 0.89 | KIF11 (0.38) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL20618655 | 0.89 | PDK2 (0.38) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL19001896 | 0.87 | PDK2 (0.46) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL15587211 | 0.87 | PDK2 (0.46) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL30353020 | 0.85 | NPC1 (0.39) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL19934339 | 0.84 | ALDH1A1 (0.52) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL21215242 | 0.84 | ALDH1A1 (0.52) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110799484-B | Material for electronic devices | 默克专利有限公司 | 2023-09-26 | — | — | CN | disclosed |
| EP-3645501-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2023-08-23 | — | — | EP | disclosed |