Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | GPR34 | Q9UPC5 | 2/20 | 0.56 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | FCER2 | P06734 | 2/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.50 |
| ▸ | PTPRA | P18433 | 1/20 | 0.50 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2352923 | 0.87 | SCN9A (0.64) | PTPN1GPR34SCN9AFCER2MMP3 | |
| SCHEMBL5645893 | 0.85 | PTPN1 (0.64) | PTPN1CNR2ITGB3ITGA2BFCER2 | |
| SCHEMBL3956755 | 0.85 | PTPN1 (0.64) | PTPN1CNR2ITGB3ITGA2BFCER2 | |
| SCHEMBL2356381 | 0.85 | SCN9A (0.50) | PTPN1LTA4HEPHX2GPR34SCN9A | |
| SCHEMBL2357204 | 0.84 | SCN9A (0.52) | PTPN1LTA4HEPHX2GPR34SCN9A | |
| SCHEMBL2172994 | 0.81 | POLB (0.52) | GPR34SCN9AFCER2MMP3MMP9 | |
| SCHEMBL2170811 | 0.80 | MAPT (0.54) | SCN9AALDH1A1KDM4E | |
| SCHEMBL2171096 | 0.79 | SCN9A (0.51) | LTA4HGPR34SCN9AALDH1A1KDM4E | |
| SCHEMBL2353034 | 0.79 | SCN9A (0.48) | GPR34SCN9AITGB3ITGA2BFCER2 | |
| SCHEMBL2172340 | 0.79 | SCN9A (0.51) | GPR34SCN9A |
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-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |