Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11379364 | 0.86 | PTGS2 (0.34) | PTGS2TDP1L3MBTL1PTGS1APP | |
| SCHEMBL11529451 | 0.85 | PSEN1 (0.38) | PTGS2TDP1L3MBTL1TSHR | |
| SCHEMBL11529076 | 0.82 | MT-CO2 (0.44) | PTGS2TDP1L3MBTL1PTGS1CYP1A2 | |
| SCHEMBL11377996 | 0.82 | TDP1 (0.41) | PTGS2TDP1L3MBTL1PTGS1APP | |
| Isoprofen SCHEMBL287354 | 0.78 | PTGS2 (0.46) | PTGS2PTGS1CYP1A2TSHR | |
| Isoprofen SCHEMBL11727169 | 0.76 | PTGS2 (0.45) | PTGS2PTGS1CYP1A2TSHR | |
| SCHEMBL11377617 | 0.76 | GRM7 (0.34) | PTGS2TDP1L3MBTL1PTGS1 | |
| Isoprofen SCHEMBL11377622 | 0.76 | PTGS2 (0.45) | PTGS2PTGS1CYP1A2TSHR | |
| Isoprofen SCHEMBL11727175 | 0.75 | LMNA (0.42) | PTGS2PTGS1CYP2D6TSHR | |
| SCHEMBL11391908 | 0.73 | XIAP (0.34) | PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4271161-A | ANALGESICS | HEXACHIMIE (FR) | 1981-06-02 | — | — | US | disclosed |