Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8631591 | 0.92 | PTGS2 (0.41) | PTGS2PTGES2KDM4EHPGDCYP3A4 | |
| SCHEMBL8631203 | 0.92 | PTGDR2 (0.46) | PTGS2PTGDR2KDM4EHPGDCYP3A4 | |
| SCHEMBL8632316 | 0.86 | PTGS1 (0.40) | PTGS2PTGDR2KDM4EHPGDCYP3A4 | |
| SCHEMBL8631669 | 0.86 | PTGES2 (0.38) | PTGS2PTGES2KDM4EHPGDCYP3A4 | |
| SCHEMBL7779851 | 0.85 | PTGS2 (0.50) | PTGS2CYP3A4HTR7HTR1AHTR2A | |
| SCHEMBL8628555 | 0.85 | KDM4E (0.38) | PTGS2PTGES2KDM4EHPGDCYP3A4 | |
| SCHEMBL8627776 | 0.85 | PTGS2 (0.38) | PTGS2PTGES2KDM4EHPGDCYP3A4 | |
| SCHEMBL8635575 | 0.84 | PTGS2 (0.46) | PTGS2PTGDR2KDM4EHPGDCYP3A4 | |
| SCHEMBL8631651 | 0.84 | PTGS2 (0.43) | PTGS2PTGES2KDM4EHPGDCYP3A4 | |
| SCHEMBL8630965 | 0.84 | PTGS2 (0.47) | PTGS2PTGES2KDM4EHPGDCYP3A4 |
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-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |