Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19147779 | 0.79 | HDAC6 (0.33) | CYP2D6HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL23277733 | 0.79 | CYP2D6 (0.30) | CYP2D6 | |
| SCHEMBL23745156 | 0.78 | MTNR1A (0.32) | — | |
| SCHEMBL15063824 | 0.77 | DGAT1 (0.33) | CYP2D6DGAT1HDAC1HDAC2HDAC6 | |
| SCHEMBL23277761 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL64420 | 0.76 | CYP2D6 (0.33) | CYP2D6DGAT1CYP2C19HDAC1HDAC2 | |
| SCHEMBL22803342 | 0.75 | MGAM (0.33) | MGAMGAASIMGAM2 | |
| SCHEMBL23745041 | 0.75 | MTNR1A (0.31) | — | |
| SCHEMBL21935476 | 0.75 | DGAT1 (0.31) | DGAT1 | |
| SCHEMBL15934038 | 0.75 | CYP2D6 (0.34) | CYP2D6HDAC1HDAC2HDAC6GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3274340-B1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL PHARMA INC (US) | 2019-07-17 | — | — | EP | disclosed |