Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13766280 | 0.83 | EDNRB (0.38) | PTGS1PRKDCALDH1A1 | |
| SCHEMBL6822436 | 0.80 | PTGS1 (0.40) | PTGS1PRKDCALDH1A1 | |
| SCHEMBL1829790 | 0.77 | PTGS2 (0.45) | PTGS1PRKDCALDH1A1 | |
| SCHEMBL16049525 | 0.77 | PTGS1 (0.40) | PTGS1PRKDCALDH1A1 | |
| SCHEMBL3722270 | 0.77 | PTGS1 (0.60) | PTGS1ALDH1A1 | |
| SCHEMBL2461016 | 0.76 | BCAT2 (0.47) | PTGS1PRKDCALDH1A1 | |
| SCHEMBL30940239 | 0.75 | APP (0.41) | PTGS1PRKDC | |
| SCHEMBL9696347 | 0.74 | PRKDC (0.41) | PTGS1PRKDCALDH1A1CES1 | |
| SCHEMBL3975326 | 0.73 | PTGS1 (0.37) | PTGS1PRKDCCES1 | |
| SCHEMBL28875552 | 0.72 | PTGS1 (0.51) | PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4064132-A | ANTIINFLAMMATORY AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-12-20 | — | — | US | disclosed |
| US-4060528-A | ANTIINFLAMMATORY | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-11-29 | — | — | US | disclosed |
| US-4035376-A | ESTERS, AMIDES, HYDROXAMIC ACIDS, ANTIINFLAMMATORY | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-07-12 | — | — | US | disclosed |