Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | FADS1 | O60427 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CCR4 | P51679 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17760144 | 0.92 | CDC25B (0.41) | CDC25BALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL17760234 | 0.92 | CDC25B (0.41) | CDC25BALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL17759926 | 0.90 | CDC25B (0.43) | CDC25BALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL17759698 | 0.90 | PDK2 (0.39) | ATMSIRT2SIRT1RAB9APDK2 | |
| SCHEMBL17759523 | 0.88 | ALDH1A1 (0.38) | ALDH1A1CYP3A4HPGDHSD17B10SIRT2 | |
| SCHEMBL17760032 | 0.87 | MAPT (0.40) | CDC25BALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL22517548 | 0.86 | ALDH1A1 (0.37) | CDC25BALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL13367382 | 0.85 | CDC25B (0.48) | CDC25BALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL16366594 | 0.85 | CDC25B (0.48) | CDC25BALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL25125291 | 0.85 | SIRT2 (0.40) | SIRT2SIRT1PDK2AKR1C3 |
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-2016076629-A1 | A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2016-05-19 | — | — | WO | disclosed |