Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EZH2 | Q15910 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | CASP4 | P49662 | 2/20 | 0.37 |
| ▸ | CASP5 | P51878 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30108038 | 0.88 | PIM1 (0.46) | PIM1ALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL30107975 | 0.84 | L3MBTL1 (0.40) | PIM1ALDH1A1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL30107968 | 0.76 | IDH1 (0.35) | PIM1ALDH1A1SMN1; SMN2NPC1GAA | |
| SCHEMBL30107983 | 0.76 | PDE10A (0.41) | PIK3CAPDE2APDE10A | |
| SCHEMBL30107973 | 0.75 | KDM4E (0.46) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL30107965 | 0.73 | MET (0.40) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPSR1 | |
| SCHEMBL30107966 | 0.73 | TSHR (0.40) | PIM1ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL4590708 | 0.71 | L3MBTL1 (0.48) | KDM4EHPGDCYP1A2CYP2C19NPC1 | |
| SCHEMBL13728941 | 0.69 | KDM4E (0.62) | ALDH1A1KDM4EHPGDCYP1A2CYP2C19 | |
| SCHEMBL30107974 | 0.67 | MAPT (0.40) | PIM1ALDH1A1KDM4ESMN1; SMN2NPC1 |
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-2022203399-A1 | ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF | 주식회사 스탠다임 | 2022-09-29 | — | — | WO | disclosed |