Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8896453 | 0.89 | PTGS2 (0.54) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL6990229 | 0.88 | PTGS2 (0.69) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL8895853 | 0.83 | PTGS2 (0.52) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL5071833 | 0.83 | PTGS2 (0.80) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL8921742 | 0.80 | PTGS2 (0.49) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL8897672 | 0.80 | PTGS2 (0.49) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL8911333 | 0.79 | ALDH1A1 (0.53) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL10154022 | 0.77 | ALDH1A1 (0.53) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL5073546 | 0.76 | PTGS2 (0.76) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 | |
| SCHEMBL5142318 | 0.74 | PTGS2 (0.80) | PTGS2NR4A2ALDH1A1MT-CO2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997038986-A1 | SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS | G.D. SEARLE & CO. (US) | 1997-10-23 | — | — | WO | disclosed |