Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.50 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.47 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CCND3 | P30281 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 2/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6003238 | 0.82 | PDE2A (0.55) | SMPD3CDK4CCNA2CCND1CDK2 | |
| SCHEMBL15651168 | 0.78 | NISCH (0.46) | SMPD3GAAMAPTKDM4EALDH1A1 | |
| SCHEMBL3403152 | 0.78 | ADRA1A (0.54) | SMPD3GAAMC4RALDH1A1TUBB4A | |
| SCHEMBL29360270 | 0.78 | ADRA1A (0.54) | SMPD3GAAMC4RALDH1A1TUBB4A | |
| SCHEMBL5248703 | 0.78 | CSNK1A1 (0.44) | SMPD3GAAMAPTKDM4EALDH1A1 | |
| SCHEMBL3642126 | 0.77 | SMPD3 (0.47) | SMPD3P2RX3P2RX2CDK4CCNA2 | |
| SCHEMBL347390 | 0.76 | MAPT (0.59) | IMPDH2IMPDH1GAAMAPTKDM4E | |
| SCHEMBL30839714 | 0.76 | MAPT (0.59) | IMPDH2IMPDH1GAAMAPTKDM4E | |
| SCHEMBL32667989 | 0.76 | CSNK1A1 (0.42) | SMPD3GAAMAPTKDM4ETSHR | |
| SCHEMBL8539151 | 0.76 | CSNK1A1 (0.46) | SMPD3GAAMAPTKDM4ETSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2155740-A1 | HETARYLANILINES AS MODULATORS FOR AMYLOID BETA | F. Hoffmann-Roche AG (CH) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008138753-A1 | HETARYLANILINES AS MODULATORS FOR AMYLOID BETA | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-20 | — | — | WO | disclosed |