Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29661821 | 1.00 | KDM4E (0.59) | KDM4ECYP1A2HSD17B10ALDH1A1TSHR | |
| SCHEMBL29661851 | 0.90 | KDM4E (0.50) | KDM4ECYP1A2HSD17B10ALDH1A1TSHR | |
| SCHEMBL17054100 | 0.90 | KDM4E (0.50) | KDM4ECYP1A2HSD17B10ALDH1A1TSHR | |
| SCHEMBL17054083 | 0.84 | KDM4E (0.44) | KDM4ECYP1A2ALDH1A1TSHRNPSR1 | |
| SCHEMBL28773717 | 0.82 | GRM2 (0.50) | KDM4ECYP1A2ALDH1A1TSHRBCHE | |
| SCHEMBL29661841 | 0.80 | GRM2 (0.39) | KDM4ECYP1A2ALDH1A1TSHR | |
| SCHEMBL17054103 | 0.80 | KDM4E (0.37) | KDM4ECYP1A2HSD17B10ALDH1A1TSHR | |
| SCHEMBL29661981 | 0.79 | CYP1A2 (0.60) | KDM4ECYP1A2HSD17B10ALDH1A1TSHR | |
| SCHEMBL29661946 | 0.74 | GRM2 (0.47) | KDM4ECYP1A2ALDH1A1TSHRBCHE | |
| SCHEMBL28773728 | 0.74 | GRM2 (0.47) | KDM4ECYP1A2ALDH1A1TSHRBCHE |
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-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 |