Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.58 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.56 |
| ▸ | PTPRC | P08575 | 1/20 | 0.52 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.42 |
| ▸ | CSNK1G1 | Q9HCP0 | 2/20 | 0.42 |
| ▸ | FGR | P09769 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4296661 | 0.93 | AURKA (0.58) | AURKAAURKBADORA2APTPRCLCK | |
| SCHEMBL4301638 | 0.85 | ADORA2A (0.64) | AURKAAURKBADORA2APTPRCLCK | |
| SCHEMBL1287132 | 0.85 | ADORA2A (0.64) | AURKAAURKBADORA2APTPRCLCK | |
| SCHEMBL64318 | 0.78 | ADORA2A (0.86) | ADORA2APTPRCLCKALDH1A1POLB | |
| SCHEMBL29944895 | 0.78 | ADORA2A (0.86) | ADORA2APTPRCLCKALDH1A1POLB | |
| SCHEMBL5585492 | 0.77 | ADORA2A (0.70) | ADORA2APTPRCLCKALDH1A1POLB | |
| SCHEMBL122019 | 0.76 | ADORA2A (0.83) | ADORA2APTPRCLCKALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL8643197 | 0.76 | ADORA2A (0.83) | ADORA2APTPRCLCKALDH1A1POLB | |
| SCHEMBL7539850 | 0.76 | ADORA2A (0.68) | ADORA2APTPRCALDH1A1MAPTMEN1 | |
| SCHEMBL5286250 | 0.76 | ADORA2A (0.68) | ADORA2APTPRCLCKALDH1A1POLB |
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-2000008495-A2 | ANTIPROLIFERATIVE NAPHTHOQUINONES, DERIVATIVES, COMPOSITIONS, AND USES THEREOF | UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2000-02-17 | — | — | WO | disclosed |