Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27916584 | 0.91 | LCK (0.48) | LCKCYP3A4MAPTPTPN11KDM4E | |
| SCHEMBL28819978 | 0.87 | KDM4E (0.51) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL9829028 | 0.87 | LCK (0.51) | LCKCYP3A4MAPTPTPN11KDM4E | |
| SCHEMBL3930762 | 0.78 | TPMT (0.50) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL4948601 | 0.77 | LCK (0.57) | LCKCYP3A4MAPTPTPN11KDM4E | |
| SCHEMBL18402724 | 0.77 | LCK (0.57) | LCKCYP3A4MAPTPTPN11KDM4E | |
| SCHEMBL18871345 | 0.76 | LCK (0.54) | LCKCYP3A4MAPTPTPN11KDM4E | |
| Methane SCHEMBL27899192 | 0.76 | MAPT (0.47) | CYP3A4MAPTKDM4EPOLBKMT2A | |
| SCHEMBL28858601 | 0.76 | LCK (0.56) | LCKMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL27607386 | 0.75 | ALDH1A1 (0.67) | LCKMAPTPTPN11KDM4EALDH1A1 |
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-103880839-A | 13a-(S)-deoxytylophorinine derivatives, pharmaceutical compositions and application of derivatives | INST MATERIA MEDICA CAMS | 2014-06-25 | — | — | CN | disclosed |