Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28322936 | 0.83 | ALDH1A1 (0.34) | ALDH1A1HPGDCYP2D6CYP2C9MAPT | |
| SCHEMBL28321957 | 0.81 | LMNA (0.39) | ALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL28321971 | 0.81 | TRPA1 (0.42) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| SCHEMBL28518519 | 0.79 | PTGS2 (0.37) | ALDH1A1MAPTCTSK | |
| SCHEMBL28321981 | 0.71 | HTT (0.33) | — | |
| SCHEMBL669771 | 0.71 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28527075 | 0.70 | ALDH1A1 (0.41) | ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL164184 | 0.67 | ALOX5 (0.41) | ALDH1A1HPGDCYP1A2KDM4EMAPT | |
| SCHEMBL4160843 | 0.67 | ALOX5 (0.41) | ALDH1A1HPGDCYP1A2KDM4EMAPT | |
| SCHEMBL17465788 | 0.66 | ALOX5 (0.44) | ALDH1A1HPGDCYP1A2KDM4EMAPT |
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-110240554-B | Alpha-thioether aryl acetonitrile compound and synthetic method thereof | 上海大学 | 2021-02-23 | — | — | CN | disclosed |
| CN-110240554-A | α-thioether aryl acetonitrile compound and its synthetic method | 上海大学 | 2019-09-17 | — | — | CN | disclosed |