Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | EP300 | Q09472 | 1/20 | 0.47 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.47 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL27792302 | 0.81 | PTGS1 (0.68) | PTGS1PTGS2KEAP1KDM4EGAA | |
| SCHEMBL10416620 | 0.79 | GAA (0.59) | PTGS1PTGS2KEAP1ALDH1A1GAA | |
| SCHEMBL7723614 | 0.74 | ADRA2A (0.58) | EP300KAT2BKAT8MCL1 | |
| SCHEMBL21191061 | 0.73 | TNIK (0.61) | PTGS1PTGS2KEAP1CYP1A2CYP2D6 | |
| SCHEMBL7003152 | 0.73 | GAA (0.60) | CASP1CASP7ALDH1A1CYP3A4TSHR | |
| SCHEMBL1128401 | 0.73 | CYTH2 (0.63) | KEAP1EP300KAT2BKAT8CASP1 | |
| SCHEMBL10417277 | 0.73 | PTGS1 (0.55) | PTGS1PTGS2EP300KAT2BKAT8 | |
| SCHEMBL10011040 | 0.72 | CYP3A4 (0.55) | ALDH1A1CYP3A4TSHRKDM4EGAA | |
| SCHEMBL29773126 | 0.72 | TSHR (0.55) | PTGS1PTGS2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2767867 | 0.71 | EP300 (0.46) | EP300KAT2BKAT8 |
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-4954518-A | Antiinflammatory agents | TOYAMA CHEMICAL COMPANY, LTD. (JP) | 1990-09-04 | — | — | US | disclosed |