Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.39 |
| ▸ | GCGR | P47871 | 5/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.39 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | MATK | P42679 | 1/20 | 0.39 |
| ▸ | FRK | P42685 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 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 | |
|---|---|---|---|---|
| SCHEMBL6441497 | 0.89 | ALDH1A1 (0.53) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL6439608 | 0.88 | MAPT (0.45) | ALDH1A1LMNAMAP2K4GSK3BCCNE2 | |
| SCHEMBL6441245 | 0.88 | MAPT (0.45) | ALDH1A1LMNAGSK3BKDM4ENPC1 | |
| SCHEMBL6441172 | 0.88 | ALDH1A1 (0.41) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL6444469 | 0.87 | ALDH1A1 (0.41) | ALDH1A1LMNAFRKCCNE2CDK4 | |
| SCHEMBL5150566 | 0.85 | ALDH1A1 (0.39) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL6470454 | 0.83 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL6440017 | 0.80 | TGFBR1 (0.44) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL6623323 | 0.78 | MAPK14 (0.44) | MAPK14GCGRMAPK13ALOX5MAPK12 | |
| SCHEMBL6622736 | 0.78 | MAPK14 (0.44) | MAPK14GCGRMAPK13ALOX5MAPK12 |
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 |