Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | PLK1 | P53350 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28631316 | 0.84 | CYP2C19 (0.48) | CYP2C19PLK1KCNH2MEN1KMT2A | |
| SCHEMBL28630187 | 0.78 | HTR6 (0.42) | CYP2C19PLK1MEN1KMT2AALDH1A1 | |
| SCHEMBL28641845 | 0.77 | HRAS (0.41) | CYP2C19PLK1MEN1KMT2AALDH1A1 | |
| SCHEMBL23093735 | 0.76 | CYP2C19 (0.72) | CYP2C19KCNH2 | |
| SCHEMBL29655735 | 0.76 | CYP2C19 (0.72) | CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL28505022 | 0.75 | CYP2C19 (0.71) | CYP2C19KCNH2 | |
| SCHEMBL28631375 | 0.74 | ALDH1A1 (0.41) | CYP2C19PLK1MEN1KMT2AALDH1A1 | |
| SCHEMBL28628613 | 0.73 | PLK1 (0.43) | CYP2C19PLK1MEN1KMT2AALDH1A1 | |
| SCHEMBL28631373 | 0.73 | MEN1 (0.43) | CYP2C19PLK1MEN1KMT2AMAPT | |
| SCHEMBL28496673 | 0.73 | CYP2C19 (0.58) | CYP2C19PLK1KCNH2CYP3A4CYP1A2 |
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 |