Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 9/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2126896 | 0.88 | AKR1C3 (0.46) | TDP1ALDH1A1MAPTALOX12CA1 | |
| SCHEMBL2126893 | 0.88 | AKR1C3 (0.46) | TDP1ALDH1A1MAPTALOX12CA1 | |
| SCHEMBL2126889 | 0.88 | AKR1C3 (0.46) | TDP1ALDH1A1MAPTALOX12CA1 | |
| SCHEMBL8663751 | 0.86 | CA1 (0.52) | MAPTCA1CA2CA12CA7 | |
| SCHEMBL7814069 | 0.86 | CA1 (0.52) | MAPTCA1CA2CA12CA7 | |
| SCHEMBL7813772 | 0.79 | PTGS2 (0.42) | AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7813773 | 0.79 | PTGS2 (0.42) | AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7806930 | 0.77 | PTGS2 (0.46) | AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1782770 | 0.77 | PTGS2 (0.46) | AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1079805 | 0.77 | PTGS2 (0.46) | AKR1C3AKR1C2AKR1C1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1670417-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHENIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY | Pharmacia Corporation (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005037193-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | disclosed |