Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | FEN1 | P39748 | 4/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.40 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | RORB | Q92753 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6744898 | 0.91 | CA1 (0.41) | NPC1HPGDHTTCA1CA2 | |
| SCHEMBL6746716 | 0.88 | PTGS2 (0.43) | NPC1HPGDHTTCA1CA2 | |
| SCHEMBL6747071 | 0.88 | FEN1 (0.44) | CA1CA2FEN1ALOX5AP | |
| SCHEMBL6749461 | 0.87 | FEN1 (0.47) | CA1CA2FEN1ALOX5APGLO1 | |
| SCHEMBL6750040 | 0.87 | PTGS2 (0.46) | HTTCA1CA2FEN1ALOX5AP | |
| SCHEMBL6744800 | 0.86 | FEN1 (0.40) | SCN9ACA1CA2FEN1ALOX5AP | |
| SCHEMBL6746036 | 0.86 | FEN1 (0.40) | CA1CA2FEN1ALOX5AP | |
| SCHEMBL6745297 | 0.86 | PTGES2 (0.45) | SCN9ACA1CA2FEN1ALOX5AP | |
| SCHEMBL6722740 | 0.86 | NPC1 (0.44) | NPC1HPGDHTTCA1CA2 | |
| SCHEMBL6843475 | 0.85 | CA1 (0.48) | SCN9ACA1CA2PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6699884-B2 | ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. | PHARMACIA CORPORATION | 2004-03-02 | — | — | US | claimed |
| US-6699884-B2 | ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. | PHARMACIA CORPORATION | 2004-03-02 | — | — | US | disclosed |