Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 2/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.37 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28630187 | 0.91 | HTR6 (0.42) | ALDH1A1LMNAHPGDMAPTMAPK1 | |
| SCHEMBL28641845 | 0.90 | HRAS (0.41) | ALDH1A1LMNAHPGDMAPTL3MBTL1 | |
| SCHEMBL28631373 | 0.81 | MEN1 (0.43) | MAPTMAPK1NPSR1PLK1CYP2C19 | |
| SCHEMBL28628613 | 0.76 | PLK1 (0.43) | ALDH1A1LMNAHPGDMAPTL3MBTL1 | |
| SCHEMBL2886797 | 0.75 | CYP2C19 (0.47) | LMNAMAPTTDO2PLK1CYP2C19 | |
| SCHEMBL28626832 | 0.74 | CYP2C19 (0.52) | ALDH1A1HPGDMAPTL3MBTL1MAPK1 | |
| SCHEMBL28631316 | 0.70 | CYP2C19 (0.48) | ALDH1A1LMNAHPGDMAPTL3MBTL1 | |
| SCHEMBL8153425 | 0.69 | ALDH1A1 (0.49) | ALDH1A1LMNAHPGDMAPTL3MBTL1 | |
| SCHEMBL28496780 | 0.67 | PLK1 (0.47) | ALDH1A1LMNAHPGDMAPTGAA | |
| SCHEMBL10353608 | 0.66 | MAPT (0.59) | ALDH1A1LMNAHPGDMAPTL3MBTL1 |
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-108947952-B | 2-substituted amino-5-trifluoromethyl-8-nitrobenz (thio) pyran-4-ketone compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2021-09-21 | — | — | CN | disclosed |