Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | GRM8 | O00222 | 1/20 | 0.38 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | CPS1 | P31327 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15952664 | 0.86 | CES2 (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL170324 | 0.78 | HSD11B1 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17674748 | 0.76 | MAPK14 (0.41) | PDE2APDE10ACYP1A2GRM8GRM7 | |
| SCHEMBL17674744 | 0.75 | MAPK14 (0.50) | PDE2APDE10ACYP1A2GRM8GRM7 | |
| SCHEMBL169795 | 0.74 | PGR (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL9998142 | 0.72 | ADORA1 (0.41) | PDE2APDE10ACYP1A2GRM8GRM7 | |
| SCHEMBL17674735 | 0.72 | CYP1A2 (0.39) | PDE2APDE10ACYP1A2GRM8GRM7 | |
| SCHEMBL17242927 | 0.71 | MC4R (0.34) | PDE2ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15952683 | 0.71 | PGR (0.31) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL15952778 | 0.71 | IDO1 (0.32) | MAPTKDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016055801-A2 | AGRICULTURAL CHEMICALS | REDAG CROP PROTECTION LTD (GB) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016055801-A2 | AGRICULTURAL CHEMICALS | REDAG CROP PROTECTION LTD (GB) | 2016-04-14 | — | — | WO | disclosed |