Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | GLA | P06280 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 4/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL28836465 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL27680089 | 0.76 | KDM4E (0.50) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL17616023 | 0.75 | GPR3 (0.52) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL22070145 | 0.75 | KDM4E (0.46) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL9959370 | 0.75 | KMT2A (0.56) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL984736 | 0.73 | EGFR (0.65) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL30443220 | 0.73 | EGFR (0.65) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL7385787 | 0.72 | KMT2A (0.61) | KDM4EALDH1A1GLAGAAHPGD | |
| Hydrochloric Acid SCHEMBL9499951 | 0.71 | GPR3 (0.47) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL10467315 | 0.70 | ALDH1A1 (0.43) | KDM4EALDH1A1GLAGAAHPGD |
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-113292557-B | Pyridopyrimidinone mesoion derivative containing indole unit and preparation method and application thereof | 贵州大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-113292557-A | Pyridopyrimidinone mesoion derivative containing indole unit and preparation method and application thereof | 贵州大学 | 2021-08-24 | — | — | CN | disclosed |