Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | AGER | Q15109 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | VDR | P11473 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30831677 | 0.94 | STAT3 (0.36) | ALDH1A1GAAKDM4EHPGDCYP3A4 | |
| SCHEMBL30831592 | 0.87 | PLA2G2C (0.37) | ALDH1A1GAAKDM4EHPGDKMT2A | |
| SCHEMBL16344580 | 0.85 | ALDH1A1 (0.40) | ALDH1A1GAAKDM4EHPGDCYP3A4 | |
| SCHEMBL13207910 | 0.84 | CA12 (0.35) | ALDH1A1GAAKDM4EHPGDCYP3A4 | |
| SCHEMBL13207907 | 0.84 | CA12 (0.35) | ALDH1A1GAAKDM4EHPGDCYP3A4 | |
| SCHEMBL11302375 | 0.83 | PLA2G2C (0.54) | ALDH1A1KDM4EHPGDCYP3A4CYP2C9 | |
| SCHEMBL10915388 | 0.83 | PLA2G2C (0.54) | ALDH1A1KDM4EHPGDCYP3A4CYP2C9 | |
| SCHEMBL2058187 | 0.83 | GAA (0.42) | ALDH1A1GAACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1192851 | 0.83 | ALDH1A1 (0.44) | ALDH1A1GAAHPGDCYP3A4CYP2C9 | |
| SCHEMBL16371958 | 0.83 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4EHPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016050209-A1 | HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE | 厦门赛诺邦格生物科技有限公司 | 2016-04-07 | — | — | WO | disclosed |