Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2428858 | 1.00 | KDM4E (0.67) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL2428855 | 1.00 | KDM4E (0.67) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL9764702 | 0.80 | KDM4E (1.00) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL9764705 | 0.80 | KDM4E (1.00) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL19498881 | 0.78 | HDAC3 (0.62) | TDP1MEN1KMT2AMAPK1 | |
| SCHEMBL9764642 | 0.76 | KDM4E (0.63) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL4572933 | 0.75 | KDM4E (0.73) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL29637239 | 0.75 | KDM4E (0.73) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL8145721 | 0.75 | KDM4E (0.73) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL4572939 | 0.75 | KDM4E (0.73) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD |
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-113016805-B | Application of phthalide derivatives in preventing and treating plant virus, killing bacteria, killing insects and killing mites | 南开大学 | 2022-05-24 | — | — | CN | claimed |
| CN-113016805-B | Application of phthalide derivatives in preventing and treating plant virus, killing bacteria, killing insects and killing mites | 南开大学 | 2022-05-24 | — | — | CN | disclosed |