Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15587672 | 0.86 | ALDH1A1 (0.35) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL16544760 | 0.86 | NPC1 (0.41) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL29556912 | 0.86 | NPC1 (0.41) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL28512443 | 0.85 | ALDH1A1 (0.46) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL30629030 | 0.85 | ALDH1A1 (0.46) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL17816859 | 0.84 | NPC1 (0.40) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL15213960 | 0.82 | PDK2 (0.43) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL22146662 | 0.81 | ALOX5 (0.39) | ALDH1A1 | |
| SCHEMBL24060811 | 0.80 | ALDH1A1 (0.46) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL807031 | 0.77 | ALDH1A1 (0.35) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023072975-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2023-05-04 | — | — | WO | disclosed |