Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 3/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL19100727 | 0.78 | RPS6KA5 (0.46) | RPS6KA5CDC7CDK2HSD11B1 | |
| SCHEMBL28619077 | 0.76 | ALDH1A1 (0.51) | RPS6KA5PTGDR2CYP17A1HTT | |
| SCHEMBL28603774 | 0.75 | PTGDR2 (0.48) | RPS6KA5PTGDR2HTR3A | |
| SCHEMBL28605417 | 0.74 | RPS6KA5 (0.46) | RPS6KA5PTGDR2CYP17A1CDC7CDK2 | |
| SCHEMBL28605717 | 0.72 | PTGDR2 (0.57) | RPS6KA5PTGDR2HTR7 | |
| SCHEMBL28961614 | 0.72 | PTGDR2 (0.48) | RPS6KA5PTGDR2CYP17A1CDC7CDK2 | |
| SCHEMBL5096787 | 0.71 | HTR6 (0.34) | HTR6CDC7CDK2 | |
| SCHEMBL30752267 | 0.70 | CA1 (0.45) | HTR7HTR3A | |
| SCHEMBL19336961 | 0.69 | L3MBTL1 (0.55) | CDK2 | |
| SCHEMBL17993426 | 0.69 | PTGDR2 (0.56) | RPS6KA5PTGDR2CYP17A1LCKCDC7 |
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-109328059-B | Selective inhibitors of clinically important mutants of EGFR tyrosine kinase | CS制药技术有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-109328059-A | Selective inhibitors of clinically important mutants of EGFR tyrosine kinase | CS制药技术有限公司 | 2019-02-12 | — | — | CN | disclosed |