Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14918626 | 0.87 | MAPK1 (0.48) | MAPK1PTGS2CA12CA1CA2 | |
| SCHEMBL7779943 | 0.84 | MAP2K4 (0.46) | MAPK1PTGS2CA12CA1CA2 | |
| SCHEMBL14918956 | 0.80 | MAP2K4 (0.44) | MAPK1PTGS2CA12CA1CA2 | |
| SCHEMBL20262094 | 0.78 | CA1 (0.72) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8179840 | 0.78 | PTGS2 (0.46) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL7778196 | 0.78 | PTGS2 (0.58) | MAPK1PTGS2CA12CA1CA2 | |
| SCHEMBL8167385 | 0.77 | PTGS2 (0.48) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL2228992 | 0.77 | CA1 (0.62) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL7780655 | 0.74 | CA12 (0.57) | MAPK1PTGS2CA12CA1CA2 | |
| SCHEMBL5215925 | 0.71 | ENPP2 (0.51) | PTGS2 |
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-2013066640-A1 | SUBSTITUTED PYRAZOLE ANALOGUES AS RAR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2013-05-10 | — | — | WO | disclosed |