Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9515383 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TDP1ADRA2BPTGS1CYP3A4 | |
| SCHEMBL29557654 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TDP1ADRA2BPTGS1CYP3A4 | |
| SCHEMBL28393066 | 0.84 | CYP3A4 (0.41) | ALDH1A1TDP1ADRA2BPTGS1CYP3A4 | |
| SCHEMBL5526822 | 0.83 | GABRA1 (0.40) | ALDH1A1TDP1PTGS1CYP3A4ALOX15 | |
| SCHEMBL9078471 | 0.81 | CYP3A4 (0.50) | ALDH1A1TDP1ADRA2BPTGS1CYP3A4 | |
| SCHEMBL6926907 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TDP1ADRA2BPTGS1CYP3A4 | |
| SCHEMBL11311588 | 0.77 | POLB (0.47) | ALDH1A1TDP1ADRA2BPTGS1CYP3A4 | |
| SCHEMBL10696326 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TDP1ADRA2BPTGS1CYP3A4 | |
| SCHEMBL17800968 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL8750488 | 0.76 | GABRA1 (0.46) | ADRA2BPTGS1CYP3A4L3MBTL1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114315796-B | Compounds used as HPK1 kinase inhibitor, preparation method and application thereof | 中国药科大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-114315796-A | Compound used as HPK1 kinase inhibitor and preparation method and application thereof | 中国药科大学 | 2022-04-12 | — | — | CN | disclosed |