Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.52 |
| ▸ | PIM1 | P11309 | 2/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.52 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.52 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.52 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.52 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.52 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.52 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.52 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 2/20 | 0.51 |
| ▸ | GSK3B | P49841 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3031855 | 1.00 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15DYRK3PIM1 | |
| SCHEMBL4454930 | 0.91 | ALDH1A1 (0.62) | ALDH1A1KDM4EALOX15DYRK3PIM1 | |
| SCHEMBL4454927 | 0.91 | ALDH1A1 (0.62) | ALDH1A1KDM4EALOX15DYRK3PIM1 | |
| SCHEMBL4449592 | 0.87 | CYP3A4 (0.54) | ALDH1A1KDM4EALOX15DYRK3PIM1 | |
| SCHEMBL4449591 | 0.87 | CYP3A4 (0.54) | ALDH1A1KDM4EALOX15DYRK3PIM1 | |
| SCHEMBL16168568 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KDM4EALOX15CYP3A4ATM | |
| SCHEMBL5452087 | 0.81 | ALDH1A1 (0.62) | ALDH1A1KDM4EALOX15CYP3A4ATM | |
| SCHEMBL14627221 | 0.81 | ALDH1A1 (0.62) | ALDH1A1KDM4EALOX15CYP3A4ATM | |
| SCHEMBL11558188 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15CYP3A4ATM | |
| SCHEMBL11558191 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15CYP3A4ATM |
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-2015069766-A1 | DUPA-INDENOISOQUINOLINE CONJUGATES | PURDUE RESEARCH FOUNDATION (US) | 2015-05-14 | — | — | WO | disclosed |