Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.57 |
| ▸ | CTSC | P53634 | 1/20 | 0.57 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.57 |
| ▸ | CCNK | O75909 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CCND3 | P30281 | 1/20 | 0.57 |
| ▸ | CDK9 | P50750 | 1/20 | 0.57 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.52 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 8/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28782963 | 1.00 | CTSL (0.57) | CTSLCTSCCCNT1CCNKCYP3A4 | |
| SCHEMBL264837 | 0.88 | EGFR (0.54) | CTSLCTSCCCNT1CCNKCYP3A4 | |
| SCHEMBL1036047 | 0.87 | EGFR (0.53) | CCNT1CDK9ABCG2MAP3K5EGFR | |
| SCHEMBL30395760 | 0.86 | POLB (0.57) | CTSCCYP3A4EGFRAURKAALDH1A1 | |
| SCHEMBL29019906 | 0.86 | POLB (0.57) | CTSCCYP3A4EGFRAURKAALDH1A1 | |
| SCHEMBL24842760 | 0.85 | CTSC (0.63) | CTSLCTSCCCNT1CCNKCYP3A4 | |
| SCHEMBL29816657 | 0.85 | CTSC (0.63) | CTSLCTSCCCNT1CCNKCYP3A4 | |
| SCHEMBL17197435 | 0.84 | EGFR (0.52) | ABCG2MAP3K5EGFR | |
| SCHEMBL9945478 | 0.84 | BTK (0.67) | EGFR | |
| SCHEMBL4180112 | 0.83 | SYK (0.57) | CTSLCTSCCCNT1CCNKCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-121248582-B | CDK12/PARP double-target inhibitor and preparation method and application thereof | SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) | 2026-05-26 | — | — | CN | disclosed |
| CN-114621206-B | 5-substituted pyrimidine diamine derivative and preparation method and application thereof | 安徽医科大学 | 2023-11-24 | — | — | CN | disclosed |
| CN-111620852-B | 5-chloro-pyrimidine-2, 4-diamine compound, and preparation method and application thereof | 镇江植生源农业科技有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-114621206-A | 5-substituted pyrimidinediamine derivative and preparation method and application thereof | 安徽医科大学 | 2022-06-14 | — | — | CN | disclosed |