Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 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 | |
|---|---|---|---|---|
| SCHEMBL6441895 | 0.87 | PKM (0.38) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL6440587 | 0.84 | POLB (0.36) | ALDH1A1CCNE2CDK4CCND1CCNE1 | |
| SCHEMBL6441497 | 0.81 | ALDH1A1 (0.53) | ALDH1A1LMNARPS6KA3PTGS2CCNE2 | |
| SCHEMBL6440359 | 0.71 | ALDH1A1 (0.41) | ALDH1A1LMNAPTGS2CCNE2CDK4 | |
| SCHEMBL6439608 | 0.71 | MAPT (0.45) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL6441172 | 0.71 | ALDH1A1 (0.41) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL6441245 | 0.71 | MAPT (0.45) | ALDH1A1LMNAKDM4EMAPTHPGD | |
| SCHEMBL6438861 | 0.70 | RPS6KA3 (0.43) | ALDH1A1LMNARPS6KA3PTGS2CCNE2 | |
| SCHEMBL8640607 | 0.69 | MAPK1 (0.73) | ALDH1A1RPS6KA3PTGS2MAPK1NPSR1 | |
| SCHEMBL6444469 | 0.68 | ALDH1A1 (0.41) | ALDH1A1LMNAPTGS2CCNE2CDK4 |
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-1539679-A4 | OXIME AND/OR HYDRAZONE CONTAINING NITROSATED AND/OR NITROSYLATED CYCLOOXIGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2007-07-04 | — | — | EP | disclosed |
| EP-1539679-A2 | OXIME AND/OR HYDRAZONE CONTAINING NITROSATED AND/OR NITROSYLATED CYCLOOXIGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004002420-A2 | OXIME AND/OR HYDRAZONE CONTAINING NITROSATED AND/OR NITROSYLATED CYCLOOXIGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | WO | disclosed |