Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL20618652 | 1.00 | PDK2 (0.38) | PDK2ALDH1A1NPC1PLA2G1BNFKB1 | |
| SCHEMBL21926641 | 0.93 | ALDH1A1 (0.41) | PDK2ALDH1A1NPC1PLA2G1BNFKB1 | |
| SCHEMBL20618648 | 0.89 | NPC1 (0.41) | PDK2ALDH1A1NPC1PLA2G1BNFKB1 | |
| SCHEMBL30540286 | 0.89 | NPC1 (0.41) | PDK2ALDH1A1NPC1PLA2G1BNFKB1 | |
| SCHEMBL20618650 | 0.88 | PDK2 (0.42) | PDK2ALDH1A1NPC1NFKB1RAB9A | |
| SCHEMBL21926724 | 0.86 | KIF11 (0.38) | PDK2ALDH1A1NPC1PLA2G1BNFKB1 | |
| SCHEMBL21925934 | 0.84 | PDK2 (0.47) | PDK2TSHR | |
| SCHEMBL20618647 | 0.84 | PDK2 (0.46) | PDK2ALDH1A1NPC1RAB9AMAOA | |
| SCHEMBL21928662 | 0.80 | PDK2 (0.40) | PDK2ALDH1A1NPC1NFKB1CASP3 | |
| SCHEMBL21925950 | 0.79 | PDK2 (0.35) | PDK2ALDH1A1NPC1PLA2G1BNFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3645501-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2023-08-23 | — | — | EP | disclosed |
| WO-2019002190-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2019-01-03 | — | — | WO | disclosed |