Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACA | Q13085 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.44 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8136665 | 0.86 | ACACA (0.49) | ACACAAURKAAURKBDYRK1ANR4A2 | |
| SCHEMBL4659565 | 0.84 | NR4A2 (0.46) | DYRK1ANR4A2APPBACE1MAPT | |
| SCHEMBL4657240 | 0.83 | NR4A2 (0.47) | AURKBNR4A2ENPP1BACE1MAPT | |
| SCHEMBL1592921 | 0.74 | XPO1 (0.54) | ACACAAURKAAURKBDYRK1AENPP1 | |
| SCHEMBL29934212 | 0.74 | XPO1 (0.54) | ACACAAURKAAURKBDYRK1AENPP1 | |
| SCHEMBL1592924 | 0.73 | DYRK1A (0.38) | ACACAAURKAAURKBDYRK1AENPP1 | |
| SCHEMBL13906866 | 0.72 | NR4A2 (0.56) | AURKADYRK1ANR4A2MAPTCRHR1 | |
| SCHEMBL7708814 | 0.70 | DYRK1A (0.65) | DYRK1AAPPMAPT | |
| SCHEMBL4013124 | 0.70 | NR4A2 (0.51) | NR4A2MAPTCRHR1KMT2A | |
| SCHEMBL27971605 | 0.70 | MCHR1 (0.57) | DYRK1AENPP1APPBACE1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3088397-A1 | COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER | Canbas Co. Ltd. (JP) | 2016-11-02 | — | — | EP | disclosed |
| EP-2152692-B1 | COMPOUNDS WITH ANTI-CANCER ACTIVITY | CANBAS CO LTD (JP) | 2016-06-15 | — | — | EP | disclosed |