Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31541862 | 0.85 | HTT (0.36) | IRAK4KEAP1NFE2L2HTTPARP1 | |
| SCHEMBL27870313 | 0.79 | BCAT2 (0.44) | IRAK4KEAP1NFE2L2HTTCTSA | |
| SCHEMBL28252036 | 0.76 | KMT2A (0.44) | KEAP1NFE2L2HTTCSNK1A1DYRK1B | |
| SCHEMBL6151172 | 0.76 | IRAK4 (0.44) | IRAK4KEAP1NFE2L2HTTPARP1 | |
| SCHEMBL3099930 | 0.72 | THRB (0.49) | KEAP1NFE2L2CSNK1A1TYRO3DYRK1B | |
| SCHEMBL27853210 | 0.69 | CFTR (0.39) | MEN1LMNAMAPTKMT2A | |
| SCHEMBL7666259 | 0.67 | KDM4E (0.47) | PARP1CDK2CDC7BCAT2MEN1 | |
| SCHEMBL5918491 | 0.66 | RIPK1 (0.43) | LMNACHRM2CYP3A4OPRK1HTR2B | |
| SCHEMBL30337770 | 0.65 | CDC7 (0.40) | PARP1CDC7CSNK1A1TYRO3DYRK1B | |
| SCHEMBL17995065 | 0.65 | CDC7 (0.40) | PARP1CDC7CSNK1A1TYRO3DYRK1B |
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-105594719-B | Combinations of pesticidal active substance combinations | 拜耳知识产权有限责任公司 | 2018-10-12 | — | — | CN | disclosed |
| CN-104170838-B | Active agent combinations | BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) | 2016-03-30 | — | — | CN | disclosed |