Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30932457 | 0.74 | UHRF1 (0.54) | KEAP1NFE2L2NR3C1UHRF1CCR1 | |
| SCHEMBL13562418 | 0.72 | NOS2 (0.53) | KEAP1NFE2L2NR3C1UHRF1CCR1 | |
| SCHEMBL22348782 | 0.70 | CYP11B1 (0.47) | — | |
| SCHEMBL2129822 | 0.69 | ACHE (0.46) | KDM4ENOS2MAOB | |
| SCHEMBL259457 | 0.68 | — | — | |
| SCHEMBL22149392 | 0.68 | UHRF1 (0.39) | KEAP1NFE2L2NR3C1UHRF1CCR1 | |
| SCHEMBL2953597 | 0.68 | CYP1A2 (0.47) | NSD2ABL1PPARGRIN1L3MBTL1 | |
| SCHEMBL4048883 | 0.67 | — | — | |
| SCHEMBL510181 | 0.67 | — | — | |
| SCHEMBL885378 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017088738-A1 | MODIFIED COMPOUND OF ANDROGRAPHOLIDE | 南京明德新药研发股份有限公司 | 2017-06-01 | — | — | WO | disclosed |