Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CDK9 | P50750 | 2/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2526248 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CDK9CCNT1CYP2C19GAA | |
| SCHEMBL2526250 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CDK9CCNT1CYP2C19GAA | |
| SCHEMBL32677963 | 0.86 | CCNT1 (0.41) | ALDH1A1CDK9CCNT1LMNAKMT2A | |
| SCHEMBL2547779 | 0.86 | CDK9 (0.48) | ALDH1A1CDK9CCNT1CYP2C19GAA | |
| SCHEMBL2547781 | 0.86 | CDK9 (0.48) | ALDH1A1CDK9CCNT1CYP2C19GAA | |
| SCHEMBL2540491 | 0.83 | HTR1A (0.42) | ALDH1A1CDK9CCNT1KDM4EHSD17B10 | |
| SCHEMBL2540494 | 0.83 | HTR1A (0.42) | ALDH1A1CDK9CCNT1KDM4EHSD17B10 | |
| SCHEMBL2539742 | 0.82 | CDK9 (0.49) | ALDH1A1CDK9CCNT1CYP2C19GAA | |
| SCHEMBL2539740 | 0.82 | CDK9 (0.49) | ALDH1A1CDK9CCNT1CYP2C19GAA | |
| SCHEMBL2520216 | 0.82 | CDK9 (0.58) | ALDH1A1CDK9CCNT1LMNAHSD17B10 |
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-118660872-A | Pyrimidine compound, preparation method and medical application thereof | 江苏亚虹医药科技股份有限公司 | 2024-09-17 | — | — | CN | disclosed |
| CN-116496252-A | Pyrimidine compound, preparation method and medical application thereof | 江苏亚虹医药科技股份有限公司 | 2023-07-28 | — | — | CN | disclosed |