Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20764947 | 1.00 | TDP1 (0.38) | TDP1KDM4EPOLBCTDSP1L3MBTL1 | |
| SCHEMBL20795222 | 0.86 | CCNT1 (0.35) | TDP1KDM4EPOLBCTDSP1L3MBTL1 | |
| SCHEMBL4772911 | 0.76 | PDGFRB (0.44) | TDP1POLBKMT2AMEN1SCN9A | |
| SCHEMBL26062785 | 0.76 | CCNT1 (0.41) | KDM4ECCNT1CDK9SCN9APDE3B | |
| SCHEMBL19175170 | 0.74 | SUV39H2 (0.39) | TDP1KDM4EKMT2AMEN1CCNT1 | |
| SCHEMBL28686966 | 0.74 | EP300 (0.44) | KDM4EPOLBKMT2AMEN1CCNT1 | |
| SCHEMBL30168855 | 0.72 | MEN1 (0.34) | KMT2AMEN1PDE3BPDE3AMAPK14 | |
| SCHEMBL21032565 | 0.72 | MEN1 (0.34) | KMT2AMEN1PDE3BPDE3AMAPK14 | |
| SCHEMBL26162649 | 0.72 | GRIN2D (0.37) | TDP1POLBCTDSP1L3MBTL1CCNT1 | |
| SCHEMBL29396391 | 0.72 | TDP1 (0.62) | TDP1KDM4EPOLBCTDSP1L3MBTL1 |
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-110997662-B | Benzimidazole derivatives as adenosine receptor antagonists | 默克专利股份公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-110944994-B | Quinoxaline derivatives as adenosine receptor antagonists | 默克专利股份公司 | 2023-06-09 | — | — | CN | disclosed |