Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 4/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL13923616 | 0.84 | ALDH1A1 (0.40) | ALDH1A1NOTUMSIGMAR1HTR2CWNT3A | |
| SCHEMBL29079999 | 0.80 | NPC1 (0.43) | ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL29079989 | 0.80 | ALDH1A1 (0.36) | ALDH1A1HTR2CWNT3ATNKS2PRKDC | |
| SCHEMBL29080010 | 0.80 | PTGS1 (0.40) | ALDH1A1NOTUMPRKDCMAOBTSHR | |
| SCHEMBL29079981 | 0.80 | PTGS1 (0.38) | ALDH1A1NOTUMWNT3ATNKS2MAOB | |
| SCHEMBL980935 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHRKDM4EMAPTLMNA | |
| SCHEMBL29080015 | 0.76 | MAPT (0.47) | ALDH1A1KDM4EGAAMAPTLMNA | |
| SCHEMBL29822666 | 0.74 | NOTUM (0.38) | NOTUMMAOBTSHRMAPTLMNA | |
| SCHEMBL29080019 | 0.74 | NOTUM (0.38) | NOTUMMAOBTSHRMAPTLMNA | |
| SCHEMBL28756264 | 0.69 | MT-CO2 (0.53) | ALDH1A1SIGMAR1MAPTPTGS2 |
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 |