Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.30 |
| ▸ | CYSLTR1 | Q9Y271 | 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 | |
|---|---|---|---|---|
| SCHEMBL20594607 | 0.82 | CYP2D6 (0.40) | HDAC4CYP2D6HTTCYP1A2CYP3A4 | |
| SCHEMBL8069408 | 0.81 | HDAC4 (0.38) | HDAC4CYP2D6HTTCYP1A2CYP3A4 | |
| SCHEMBL809393 | 0.80 | CRHBP (0.50) | HDAC4CYP2C19L3MBTL1CRHBPCRHR2 | |
| SCHEMBL20594620 | 0.71 | CYSLTR2 (0.45) | CYSLTR2CYSLTR1 | |
| SCHEMBL5665940 | 0.70 | CYSLTR2 (0.39) | CYSLTR2CYSLTR1 | |
| SCHEMBL20594627 | 0.69 | CYSLTR2 (0.43) | CYSLTR2CYSLTR1 | |
| SCHEMBL5665859 | 0.69 | CYSLTR2 (0.43) | CYSLTR2CYSLTR1 | |
| SCHEMBL20594629 | 0.68 | FFAR1 (0.31) | HTT | |
| SCHEMBL20594531 | 0.67 | — | — | |
| SCHEMBL9514442 | 0.67 | PPARA (0.33) | CYSLTR2CYSLTR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4141995-A | Ketone derivatives | LILLY INDUSTRIES LIMITED (GB) | 1979-02-27 | — | — | US | disclosed |