Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 13/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5149028 | 0.78 | PTGS2 (0.62) | CA1CA2CA9PTGS2PTGS1 | |
| SCHEMBL3865581 | 0.75 | PTGS2 (0.78) | CA1CA2CA9PTGS2PTGS1 | |
| SCHEMBL6440362 | 0.72 | PTGS2 (0.64) | CA1CA2CA9ALOX5PTGS2 | |
| SCHEMBL8421963 | 0.71 | PTGS2 (0.64) | CA1CA2CA9ALOX5PTGS2 | |
| SCHEMBL7459996 | 0.71 | PTGS2 (0.62) | CA1CA2CA9ALOX5PTGS2 | |
| SCHEMBL7466476 | 0.70 | PTGS2 (0.74) | CA1CA2CA9ALOX5PTGS2 | |
| SCHEMBL3865450 | 0.70 | PTGS2 (0.58) | CA1CA2CA9PTGS2PTGS1 | |
| SCHEMBL3862609 | 0.70 | PTGS2 (0.54) | ALOX5PTGS2PTGS1EPHX2 | |
| SCHEMBL6441819 | 0.69 | ALOX5 (0.64) | CA1CA2CA9ALOX5PTGS2 | |
| SCHEMBL9941416 | 0.68 | ALOX5 (0.81) | CA1CA2CA9ALOX5PTGS2 |
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 |