Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7121695 | 0.90 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL8673497 | 0.82 | IRAK4 (0.36) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL27681648 | 0.82 | CYP3A4 (0.51) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL27700923 | 0.79 | IRAK4 (0.45) | ALDH1A1CYP3A4KMT2ALMNAMAPT | |
| SCHEMBL28542890 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL2488522 | 0.79 | PRSS1 (0.45) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL28333418 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL131266 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL31073993 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL2802826 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CA2PRSS1PRSS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440328-A | A kind of amide takes off boc-protected method | 常熟理工学院 | 2018-08-24 | — | — | CN | disclosed |