Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 3/20 | 0.38 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3490382 | 1.00 | AURKA (0.39) | AURKABRAFTNNI3KPDE4APDE4B | |
| SCHEMBL15618278 | 0.79 | AURKA (0.41) | AURKAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23326419 | 0.78 | DAO (0.39) | AURKAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29861574 | 0.78 | DAO (0.39) | AURKAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL759988 | 0.78 | AURKA (0.40) | AURKAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28019402 | 0.78 | PI4KA (0.44) | AURKABRAFTNNI3KCHEK1 | |
| SCHEMBL5005506 | 0.76 | CHEK1 (0.43) | AURKAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL514788 | 0.76 | TRPA1 (0.44) | AURKAKDM4EKIT | |
| SCHEMBL2319147 | 0.76 | AURKA (0.39) | AURKAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6259087 | 0.74 | EGFR (0.53) | EGFRKIT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025217212-A1 | MAC1 INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2025-10-16 | — | — | WO | disclosed |
| CN-112812117-B | Novel crystal form of BTK inhibitor and preparation method thereof | 中国医药研究开发中心有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-116514806-A | Biological inhibitor containing acrylketone, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-110072865-B | Pyrrolo-aromatic heterocyclic compounds, preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2022-02-11 | — | — | CN | disclosed |