Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL28229854 | 0.85 | PARP1 (0.42) | HDAC4HDAC6ALDH1A1GAAGFER | |
| SCHEMBL19181646 | 0.82 | SKP2 (0.41) | HDAC4HDAC6ALDH1A1GAAGFER | |
| SCHEMBL28254473 | 0.79 | ALDH1A1 (0.62) | ALDH1A1GAAGFERTSHRKDM4E | |
| SCHEMBL13536796 | 0.77 | HDAC4 (0.48) | HDAC4HDAC6FAAHALOX5TDP1 | |
| SCHEMBL27767634 | 0.77 | ALDH1A1 (0.44) | ALDH1A1GAAGFERMAPTCHEK1 | |
| SCHEMBL28832891 | 0.74 | CYP2D6 (0.46) | HDAC4HDAC6TSHRKDM4ECYP2D6 | |
| SCHEMBL19182412 | 0.74 | PARP1 (0.43) | HDAC4HDAC6ALDH1A1GAAGFER | |
| SCHEMBL1515850 | 0.73 | HDAC4 (0.45) | HDAC4HDAC6ALDH1A1TSHRKDM4E | |
| SCHEMBL1515840 | 0.73 | LMNA (0.54) | ALDH1A1GAAMAPTHPGDCYP2D6 | |
| SCHEMBL1515836 | 0.73 | TSHR (0.51) | ALDH1A1TSHRCYP2D6CYP2C19 |
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-108349981-A | Novel pyrazolo [3, 4-d ] pyrimidine compound or salt thereof | 大鹏药品工业株式会社 | 2018-07-31 | — | — | CN | disclosed |