Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 10/20 | 0.80 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.80 |
| ▸ | SRC | P12931 | 3/20 | 0.80 |
| ▸ | GSK3B | P49841 | 3/20 | 0.80 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.80 |
| ▸ | GSK3A | P49840 | 1/20 | 0.80 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL802159 | 1.00 | AURKA (0.80) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL29435815 | 0.90 | AURKA (1.00) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL462877 | 0.90 | AURKA (1.00) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL29539480 | 0.89 | AURKA (0.77) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL801605 | 0.88 | AURKA (0.79) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL802191 | 0.87 | AURKA (1.00) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL14726263 | 0.86 | AURKA (0.70) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL24022423 | 0.84 | AURKA (0.88) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL802435 | 0.83 | AURKA (0.82) | AURKAAURKBSRCGSK3BEIF2AK2 | |
| SCHEMBL786397 | 0.82 | MAPK1 (0.64) | MAPTMAPK1HTTCYP1A2CYP3A4 |
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-2024141926-A1 | NOVEL CRYSTAL FORM OF QUINAZOLINE DERIVATIVE COMPOUND AND PREPARATION METHOD THEREOF | 에이치케이이노엔 주식회사 | 2024-07-04 | — | — | WO | disclosed |