Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 7/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17664005 | 0.84 | S1PR3 (0.49) | S1PR3S1PR1S1PR4S1PR2SYK | |
| SCHEMBL23716154 | 0.81 | ROCK2 (0.48) | SYKKEAP1NFE2L2PARP1ADRA1D | |
| SCHEMBL13710935 | 0.81 | ROCK2 (0.48) | SYKKEAP1NFE2L2PARP1ADRA1D | |
| SCHEMBL10966252 | 0.80 | TACR3 (0.49) | MAPK1 | |
| SCHEMBL13707887 | 0.78 | ALDH1A1 (0.49) | S1PR3S1PR4S1PR2SYKPARP1 | |
| SCHEMBL17664004 | 0.77 | S1PR3 (0.54) | S1PR3S1PR1S1PR4S1PR2SYK | |
| SCHEMBL11647818 | 0.76 | KEAP1 (0.55) | S1PR3S1PR1S1PR4S1PR2KEAP1 | |
| SCHEMBL15774550 | 0.76 | PARP1 (0.53) | PARP1ADRA1DTRPM8 | |
| SCHEMBL23716111 | 0.74 | OGG1 (0.45) | SYKPARP1TRPM8 | |
| SCHEMBL5064609 | 0.73 | PARP1 (0.50) | PARP1ADRA1DTRPM8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002064211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |