Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | DPP4 | P27487 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.37 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8630571 | 0.89 | PTGS2 (0.45) | MARS1PTGS2PTGS1DPP4DPP8 | |
| SCHEMBL8629984 | 0.87 | PTGS2 (0.44) | PTGS2PTGS1CYP3A4CYP2C19F10 | |
| SCHEMBL8631997 | 0.87 | PTGS2 (0.39) | PTGS2PTGS1F10PTGES2HSD11B1 | |
| SCHEMBL8631241 | 0.86 | F10 (0.38) | MARS1PTGS2PTGS1F10PTGES2 | |
| SCHEMBL7779461 | 0.86 | PTGS2 (0.50) | MARS1PTGS2PTGS1MEN1KMT2A | |
| SCHEMBL8627914 | 0.85 | PTGS2 (0.38) | PTGS2PTGS1CYP3A4CYP2C19F10 | |
| SCHEMBL8630171 | 0.85 | PTGS2 (0.45) | PTGS2PTGS1F10MEN1KMT2A | |
| SCHEMBL8631265 | 0.84 | PTGS2 (0.42) | PTGS2PTGS1CYP3A4CYP2C19F10 | |
| SCHEMBL8632872 | 0.84 | PTGS2 (0.39) | PTGS2PTGS1F10ALDH1A1GAA | |
| SCHEMBL8635534 | 0.81 | PTGS2 (0.53) | PTGS2PTGS1F10KMT2AALDH1A1 |
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 |