Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 7/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 7/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 7/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11083093 | 0.71 | ADORA1 (0.57) | ADORA1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9343218 | 0.70 | KMT2A (0.52) | ADORA1MAPK10PTGS2 | |
| SCHEMBL8776255 | 0.70 | MAPK14 (0.54) | ADORA1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7210605 | 0.67 | MAPK14 (0.62) | ADORA1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL27538130 | 0.67 | MAPK14 (0.46) | ADORA1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7215030 | 0.67 | BRAF (0.51) | ADORA1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7210423 | 0.67 | ADORA1 (0.51) | ADORA1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9956075 | 0.66 | ADORA1 (0.77) | ADORA1MAPK10 | |
| SCHEMBL7210550 | 0.66 | ADORA1 (0.75) | ADORA1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7210472 | 0.66 | MAPK14 (0.50) | ADORA1MAPK13MAPK12MAPK11MAPK14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0361185-B1 | 2-halogenomethylthio-substituted pyrimidine derivatives | BAYER AG (DE) | 1994-06-22 | — | — | EP | disclosed |
| US-4978382-A | Insecticides, miticides, nematocides | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-18 | — | — | US | disclosed |
| EP-0361185-A2 | 2-halogenomethylthio-substituted pyrimidine derivatives | BAYER AG (DE) | 1990-04-04 | — | — | EP | disclosed |
| US-4438117-A | ANALGESICS, ANTINFLAMMATORY AND ANTIARTHRITIC AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-03-20 | — | — | US | disclosed |