Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 9/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CALCA | P06881 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1422177 | 0.89 | IRAK4 (0.44) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1422418 | 0.89 | IRAK4 (0.43) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1422960 | 0.86 | L3MBTL3 (0.45) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1420845 | 0.84 | IRAK4 (0.44) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1422325 | 0.84 | L3MBTL3 (0.49) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1422216 | 0.84 | ACACB (0.43) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1421156 | 0.83 | IRAK4 (0.45) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1421088 | 0.83 | IRAK4 (0.45) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1421240 | 0.83 | IRAK4 (0.43) | IRAK4TRPV4ACACBACACATACR2 | |
| SCHEMBL1421257 | 0.83 | IRAK4 (0.44) | IRAK4TRPV4ACACBACACATACR2 |
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-2297137-A1 | NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |