Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL29822795 | 0.92 | MAPT (0.37) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL29079994 | 0.84 | LMNA (0.43) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL29080004 | 0.84 | ALDH1A1 (0.39) | MEN1KMT2AMAPTALDH1A1CCR1 | |
| SCHEMBL29079982 | 0.84 | ACHE (0.39) | NPC1RAB9AKMT2AMAPTALDH1A1 | |
| SCHEMBL29080008 | 0.82 | LMNA (0.44) | NPC1RAB9AKMT2AMAPTALDH1A1 | |
| SCHEMBL29079995 | 0.80 | GRIK2 (0.36) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL29822631 | 0.80 | GRIK2 (0.36) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL29079988 | 0.76 | ALDH1A1 (0.41) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL29079997 | 0.75 | LMNA (0.40) | MEN1KMT2AMAPTTDP1HPGD | |
| SCHEMBL29822793 | 0.69 | CES2 (0.36) | NPC1RAB9AMEN1KMT2AMAPT |
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-114853664-B | Method for synthesizing alpha, beta-unsaturated cyclohexyl ketone compound under palladium catalysis condition | 河南大学 | 2023-09-29 | — | — | CN | disclosed |
| CN-114853664-A | Method for synthesizing alpha, beta-unsaturated heterocyclic hexyl ketone compound under palladium catalysis condition | 河南大学 | 2022-08-05 | — | — | CN | disclosed |