Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK2 | Q13002 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29822631 | 1.00 | GRIK2 (0.36) | GRIK2ALDH1A1TP53HPGDHTT | |
| SCHEMBL29822795 | 0.88 | MAPT (0.37) | GRIK2ALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL29079982 | 0.81 | ACHE (0.39) | ALDH1A1TP53NPSR1LMNAMAPT | |
| SCHEMBL29080004 | 0.81 | ALDH1A1 (0.39) | GRIK2ALDH1A1HTTNPSR1LMNA | |
| SCHEMBL29079997 | 0.81 | LMNA (0.40) | HPGDNPSR1TSHRLMNAMAPT | |
| SCHEMBL29079994 | 0.81 | LMNA (0.43) | ALDH1A1HPGDHTTLMNAMAPT | |
| SCHEMBL29079983 | 0.80 | NPC1 (0.39) | ALDH1A1HPGDHTTNPSR1LMNA | |
| SCHEMBL29080008 | 0.78 | LMNA (0.44) | ALDH1A1HPGDLMNAMAPTGFER | |
| SCHEMBL29079988 | 0.70 | ALDH1A1 (0.41) | ALDH1A1TP53HPGDTSHRMAPT | |
| SCHEMBL4020050 | 0.67 | HTT (0.45) | ALDH1A1HTTNPSR1TSHRLMNA |
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 |