Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CASP1 | P29466 | 4/20 | 0.56 |
| ▸ | CASP7 | P55210 | 4/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 5/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 7/20 | 0.49 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 6/20 | 0.40 |
| ▸ | CCND2 | P30279 | 5/20 | 0.40 |
| ▸ | CCND3 | P30281 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30839257 | 1.00 | CYP1A2 (0.56) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL29175816 | 0.99 | CYP1A2 (0.57) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL30839259 | 0.99 | CYP1A2 (0.57) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL30839273 | 0.83 | CYP1A2 (0.56) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL29175728 | 0.83 | CYP1A2 (0.56) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL30839266 | 0.81 | CYP1A2 (0.57) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL29175786 | 0.81 | CYP1A2 (0.57) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL30724196 | 0.80 | ALDH1A1 (0.44) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL29175720 | 0.80 | CYP1A2 (0.87) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 | |
| SCHEMBL30839262 | 0.80 | CYP1A2 (0.87) | CYP1A2HSD17B10ALDH1A1CASP1CASP7 |
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-117756805-A | Pteridinone derivatives as RSK inhibitors and their use | 华东师范大学 | 2024-03-26 | — | — | CN | disclosed |