Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 5/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 5/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 5/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.33 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5154541 | 0.87 | ALDH1A1 (0.37) | GSK3BMAPTCCNE2CDK4CCND1 | |
| SCHEMBL6440587 | 0.86 | POLB (0.36) | RAB9AMAPTCCNE2CDK4CCND1 | |
| SCHEMBL6439608 | 0.84 | MAPT (0.45) | PKMRAB9AGSK3BMAPTCCNE2 | |
| SCHEMBL8642444 | 0.74 | GSK3B (0.45) | RAB9AGSK3BMAPTTRPM8MAPK13 | |
| SCHEMBL6441497 | 0.73 | ALDH1A1 (0.53) | RAB9AMAPTCCNE2CDK4CCND1 | |
| SCHEMBL6441172 | 0.72 | ALDH1A1 (0.41) | RAB9AMAPTCCNE2CDK4CCND1 | |
| SCHEMBL6441245 | 0.72 | MAPT (0.45) | PKMRAB9AGSK3BMAPTHPGD | |
| SCHEMBL6440359 | 0.72 | ALDH1A1 (0.41) | RAB9AGSK3BMAPTCCNE2CDK4 | |
| SCHEMBL6438849 | 0.71 | CDC25B (0.39) | GSK3BMAPTHPGDKMT2ALMNA | |
| SCHEMBL6444469 | 0.70 | ALDH1A1 (0.41) | RAB9AMAPTCCNE2CDK4CCND1 |
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 |