Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.44 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20529361 | 0.76 | S100A4 (0.48) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL149617 | 0.75 | HSD11B1 (0.36) | S100A4PTPRCMAPK1CES1POLB | |
| SCHEMBL26732918 | 0.73 | S100A4 (0.39) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL29775081 | 0.72 | S100A4 (0.48) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL17141524 | 0.72 | S100A4 (0.48) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL393320 | 0.72 | BCL2 (0.50) | S100A4PTPRCBCL2MCL1CA1 | |
| Hydrochloric Acid SCHEMBL2097036 | 0.70 | S100A4 (0.47) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL4141951 | 0.70 | S100A4 (0.56) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL6773808 | 0.70 | S100A4 (0.56) | S100A4PTPRCBCL2MCL1CA1 | |
| SCHEMBL3485419 | 0.68 | S100A4 (0.48) | S100A4PTPRCBCL2MCL1CA1 |
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-115611883-B | PI3K alpha inhibitor with double-ring structure, and preparation method and application thereof | 生物岛实验室 | 2025-03-28 | — | — | CN | disclosed |
| CN-115611883-A | PI3K alpha inhibitor with bicyclic structure and preparation method and application thereof | 生物岛实验室 | 2023-01-17 | — | — | CN | disclosed |