Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6440473 | 0.82 | GAA (0.43) | GAAMAP4K1ALDH1A1LMNAHPGD | |
| SCHEMBL6444360 | 0.74 | ALDH1A1 (0.36) | GAAALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL5150592 | 0.74 | ALDH1A1 (0.36) | GAAALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6469128 | 0.72 | GAA (0.35) | GAA | |
| SCHEMBL4957820 | 0.70 | CDK1 (0.36) | GAAMAP4K1ALDH1A1LMNAHPGD | |
| SCHEMBL4958426 | 0.66 | RARB (0.41) | GAAALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8483087 | 0.63 | ALDH1A1 (0.46) | GAAALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL4957380 | 0.61 | PTGS2 (0.41) | — | |
| SCHEMBL4960913 | 0.61 | GSK3B (0.41) | ALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL8596552 | 0.58 | PTGS2 (0.64) | GAAALDH1A1LMNAHPGDSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534683-A4 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1534683-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | WO | disclosed |