Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 15/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 12/20 | 0.44 |
| ▸ | USP2 | O75604 | 10/20 | 0.44 |
| ▸ | CASP1 | P29466 | 9/20 | 0.44 |
| ▸ | CASP7 | P55210 | 8/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | GLA | P06280 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28398794 | 0.83 | CDK4 (0.59) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL7222692 | 0.82 | HCAR1 (0.43) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL18371436 | 0.81 | RORC (0.36) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL17168961 | 0.81 | RORC (0.36) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL29175816 | 0.81 | CYP1A2 (0.57) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL30839259 | 0.81 | CYP1A2 (0.57) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL29175808 | 0.80 | CYP1A2 (0.56) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL30839257 | 0.80 | CYP1A2 (0.56) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL30724197 | 0.77 | CDK4 (0.57) | ALDH1A1CYP1A2HSD17B10USP2CASP1 | |
| SCHEMBL31475403 | 0.77 | CDK2 (0.57) | CCNE1CDK2CDK4CCND1CCND3 |
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-117384160-A | Compounds as CDK inhibitors and uses thereof | 华东理工大学 | 2024-01-12 | — | — | CN | disclosed |