Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL29661864 | 1.00 | CYP1A2 (0.37) | CYP1A2ALDH1A1KDM4ETSHRGRM2 | |
| SCHEMBL29661841 | 0.90 | GRM2 (0.39) | CYP1A2ALDH1A1KDM4ETSHRGRM2 | |
| SCHEMBL17054193 | 0.90 | GRM2 (0.39) | CYP1A2ALDH1A1KDM4ETSHRGRM2 | |
| SCHEMBL29661946 | 0.85 | GRM2 (0.47) | CYP1A2ALDH1A1KDM4ETSHRGRM2 | |
| SCHEMBL28773728 | 0.85 | GRM2 (0.47) | CYP1A2ALDH1A1KDM4ETSHRGRM2 | |
| SCHEMBL17054100 | 0.80 | KDM4E (0.50) | CYP1A2ALDH1A1KDM4ETSHRATM | |
| SCHEMBL29661851 | 0.80 | KDM4E (0.50) | CYP1A2ALDH1A1KDM4ETSHRATM | |
| SCHEMBL17054103 | 0.80 | KDM4E (0.37) | CYP1A2ALDH1A1KDM4ETSHRGRM2 | |
| SCHEMBL17054088 | 0.79 | CYP1A2 (0.60) | CYP1A2ALDH1A1KDM4ETSHRMEN1 | |
| SCHEMBL29661981 | 0.79 | CYP1A2 (0.60) | CYP1A2ALDH1A1KDM4ETSHRMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110117246-B | Preparation method of 3-position indolylated cyclohexenone compound | 山西大学 | 2022-05-31 | — | — | CN | claimed |
| CN-110117246-B | Preparation method of 3-position indolylated cyclohexenone compound | 山西大学 | 2022-05-31 | — | — | CN | disclosed |
| CN-110117246-B | Preparation method of 3-position indolylated cyclohexenone compound | 山西大学 | 2022-05-31 | — | — | CN | disclosed |
| WO-2015131100-A1 | LIGAND-CONTROLLED C(SP3)-H ARYLATION AND OLEFINATION IN SYNTHESIS OF UNNATURAL CHIRAL ALPHA AMINO ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2015-09-03 | — | — | WO | disclosed |