Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 8/20 | 0.46 |
| ▸ | 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 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL15587211 | 1.00 | PDK2 (0.46) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL15213960 | 0.93 | PDK2 (0.43) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL29556912 | 0.89 | NPC1 (0.41) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL16544760 | 0.89 | NPC1 (0.41) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL20687338 | 0.88 | PDK2 (0.39) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL17816859 | 0.87 | NPC1 (0.40) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL30540286 | 0.87 | NPC1 (0.41) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL20618648 | 0.87 | NPC1 (0.41) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL21215242 | 0.86 | ALDH1A1 (0.52) | PDK2NPC1ALDH1A1PLA2G1BNFKB1 | |
| SCHEMBL19934339 | 0.86 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023099543-A1 | COMPOUNDS HAVING FLUORENE STRUCTURES | MERCK PATENT GMBH (DE) | 2023-06-08 | — | — | WO | disclosed |
| EP-3390365-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-04-14 | — | — | EP | disclosed |
| WO-2017102063-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |