Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 10/20 | 0.57 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.54 |
| ▸ | MAP2K3 | P46734 | 3/20 | 0.54 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29911672 | 1.00 | SCN9A (0.57) | SCN9AIRAK4MAP2K3DGAT1MAPK14 | |
| SCHEMBL29648185 | 0.85 | DGAT1 (0.56) | SCN9AIRAK4MAP2K3DGAT1CASP1 | |
| SCHEMBL608430 | 0.85 | DGAT1 (0.56) | SCN9AIRAK4MAP2K3DGAT1CASP1 | |
| SCHEMBL1944293 | 0.84 | KDM4E (0.57) | SCN9AIRAK4MAP2K3CDC7DBF4 | |
| SCHEMBL28324757 | 0.83 | SCN9A (0.59) | SCN9AIRAK4PKN1PKN2MKNK2 | |
| SCHEMBL29505512 | 0.83 | SCN9A (0.59) | SCN9AIRAK4PKN1PKN2MKNK2 | |
| SCHEMBL9792961 | 0.82 | PIM1 (0.50) | SCN9AIRAK4DGAT1PIM1 | |
| SCHEMBL16129931 | 0.82 | SCN9A (0.56) | SCN9AIRAK4MAP2K3DGAT1 | |
| SCHEMBL16129942 | 0.82 | ALDH1A1 (0.62) | SCN9AIRAK4DGAT1PIM1 | |
| Hydrochloric Acid SCHEMBL29855542 | 0.81 | SCN9A (0.58) | SCN9AIRAK4PKN1PKN2MKNK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103282360-B | CXCR4 receptor antagonist | PROXIMAGEN LTD. (GB) | 2016-03-30 | — | — | CN | disclosed |