Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.49 |
| ▸ | WNT3A | P56704 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.45 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL135970 | 1.00 | PARP1 (0.52) | PARP1CTNNB1WNT3AHPGDTDP1 | |
| SCHEMBL397191 | 0.87 | GSK3B (0.50) | HPGDTDP1KCNH2SMN1; SMN2MEN1 | |
| SCHEMBL4850442 | 0.81 | TPMT (0.46) | HPGDKCNH2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29547149 | 0.80 | CA12 (0.47) | HPGDKMT2AGSK3B | |
| SCHEMBL28241079 | 0.80 | CA12 (0.47) | HPGDKMT2AGSK3B | |
| SCHEMBL23998411 | 0.80 | PARP1 (0.44) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL11769075 | 0.80 | CA12 (0.52) | PARP1CTNNB1KDM4EMAPTGSK3B | |
| SCHEMBL30512074 | 0.79 | CES2 (0.66) | PARP1CTNNB1WNT3ATDP1HDAC8 | |
| SCHEMBL4633370 | 0.79 | BCL2 (0.44) | KCNH2GSK3B | |
| SCHEMBL139190 | 0.79 | CES2 (0.66) | PARP1CTNNB1WNT3ATDP1HDAC8 |
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-118812500-A | Substituted aryl diketone nitrile compound with herbicidal activity, preparation method and application | 东北农业大学 | 2024-10-22 | — | — | CN | disclosed |
| CN-118398813-A | Positive electrode slurry, positive electrode sheet and secondary battery | 广东邦普循环科技有限公司 | 2024-07-26 | — | — | CN | disclosed |