Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 10/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | TERT | O14746 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16439310 | 0.85 | PDE10A (0.41) | KDM4EALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL20299388 | 0.85 | TERT (0.35) | KDM4EALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL31489439 | 0.81 | KDM4E (0.41) | KDM4EALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL29360543 | 0.79 | MEN1 (0.35) | KDM4EALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL30888275 | 0.78 | HTT (0.36) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL30888278 | 0.78 | HTT (0.36) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL30888295 | 0.75 | GAA (0.41) | KDM4EALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL25675286 | 0.71 | MTOR (0.40) | PIK3CGPIK3CDPIK3CAPIK3CB | |
| SCHEMBL29134638 | 0.71 | APP (0.40) | KDM4EALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL10044580 | 0.71 | PIK3CG (0.44) | KDM4EALDH1A1HPGDHSD17B10PIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| CN-117940437-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2024-04-26 | — | — | CN | disclosed |