Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 2/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL3628038 | 0.88 | — | — | |
| SCHEMBL28490250 | 0.77 | PARP1 (0.37) | PARP1BLMCYP3A4KDM4EALDH1A1 | |
| SCHEMBL22313691 | 0.74 | PDE2A (0.34) | PARP1ALDH1A1ABL1RIN1IP6K1 | |
| Trifluoroacetic Acid SCHEMBL30395656 | 0.73 | HRH4 (0.38) | PARP1BLMCYP3A4KDM4EALDH1A1 | |
| SCHEMBL8247593 | 0.69 | KDM5B (0.40) | PARP1ALDH1A1ABL1RIN1IP6K1 | |
| SCHEMBL3902612 | 0.67 | PDE2A (0.37) | PARP1ALDH1A1ABL1RIN1IP6K1 | |
| SCHEMBL22214107 | 0.66 | — | — | |
| SCHEMBL38666165 | 0.65 | ABL1 (0.36) | PARP1CYP3A4MAPTABL1RIN1 | |
| SCHEMBL7970843 | 0.64 | PARP1 (0.59) | PARP1ALDH1A1IP6K1SLC2A1CHEK1 | |
| Hydrochloric Acid SCHEMBL31751744 | 0.63 | HRH4 (0.33) | PARP1BLMALDH1A1APEX1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114081890-B | Application of pyrimidinone derivative in resisting tubercle bacillus infection | 中国医学科学院医药生物技术研究所 | 2023-06-02 | — | — | CN | disclosed |