Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 4/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 4/20 | 0.32 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.32 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17340778 | 0.84 | CDC7 (0.54) | CDC7ALDH1A1GAAPIM1PIM2 | |
| SCHEMBL16286093 | 0.84 | CDC7 (0.54) | CDC7ALDH1A1GAAPIM1PIM2 | |
| SCHEMBL9938009 | 0.79 | CDC7 (0.46) | CDC7PIM1PIM2CYP1A2GRM5 | |
| SCHEMBL30229272 | 0.78 | CDC7 (0.48) | CDC7ALDH1A1GAAPIM1PIM2 | |
| SCHEMBL16682680 | 0.78 | CDC7 (0.51) | CDC7ALDH1A1GAAPIM1PIM2 | |
| SCHEMBL28629559 | 0.77 | CDC7 (0.47) | CDC7ALDH1A1GAAPIM1PIM2 | |
| SCHEMBL30229287 | 0.77 | CDC7 (0.47) | CDC7ALDH1A1GAAPIM1PIM2 | |
| SCHEMBL21247869 | 0.77 | CDC7 (0.47) | CDC7ALDH1A1GAAPARP1 | |
| SCHEMBL28627557 | 0.76 | CDC7 (0.31) | CDC7 | |
| SCHEMBL9938224 | 0.75 | CYP1A2 (0.64) | CYP1A2GRM5GRM3 |
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-113429410-B | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2021-09-24 | — | — | CN | disclosed |