Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 4/20 | 0.35 |
| ▸ | NOS2 | P35228 | 4/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | DNTT | P04053 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10775262 | 1.00 | ALDH1A1 (0.41) | ALDH1A1EPHX1CYP1A2ALOX5NOS1 | |
| SCHEMBL12993834 | 0.83 | PPARG (0.43) | ALDH1A1EPHX1ALOX5PPARGGBA1 | |
| SCHEMBL12993833 | 0.83 | PPARG (0.43) | ALDH1A1EPHX1ALOX5PPARGGBA1 | |
| SCHEMBL20477531 | 0.82 | EPHX1 (0.41) | ALDH1A1EPHX1CYP1A2NOS1NOS2 | |
| SCHEMBL2936108 | 0.79 | — | — | |
| SCHEMBL10988824 | 0.77 | ALDH1A1 (0.39) | ALDH1A1EPHX1CYP1A2ALOX5TSHR | |
| SCHEMBL10988819 | 0.77 | ALDH1A1 (0.39) | ALDH1A1EPHX1CYP1A2ALOX5TSHR | |
| SCHEMBL10988826 | 0.77 | ALDH1A1 (0.39) | ALDH1A1EPHX1CYP1A2ALOX5TSHR | |
| SCHEMBL5273312 | 0.76 | — | — | |
| SCHEMBL16554088 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1337851-A | Method for converting COX inhibitory compounds other than COX-2 selective inhibitors into derivatives of COX-2 selective inhibitors | UNIV VANDERBILT (US) | 2002-02-27 | — | — | CN | disclosed |