Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.68 |
| ▸ | GAA | P10253 | 5/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 3/20 | 0.39 |
| ▸ | FBP1 | P09467 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL18509893 | 0.86 | EGFR (0.51) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL4561225 | 0.84 | KDM4E (0.48) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL6291031 | 0.81 | MAPT (1.00) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL18029162 | 0.81 | MAPT (0.44) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL2002738 | 0.80 | KDM4E (0.75) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL4470156 | 0.78 | KDM4E (0.73) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL29255723 | 0.78 | KDM4E (0.73) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL30854921 | 0.78 | KDM4E (0.73) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL28797748 | 0.78 | RAD52 (0.44) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL21392221 | 0.77 | KDM4E (0.41) | KDM4EGAAMAPTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102464654-B | Antiviral compound | PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) | 2016-01-13 | — | — | CN | disclosed |
| WO-2012065062-A1 | NOVEL ANTIVIRAL COMPOUNDS | PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) | 2012-05-18 | — | — | WO | disclosed |
| WO-2012065062-A1 | NOVEL ANTIVIRAL COMPOUNDS | PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) | 2012-05-18 | — | — | WO | disclosed |