Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | OXTR | P30559 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5148976 | 0.99 | PTGS2 (0.43) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5148582 | 0.91 | PTGS2 (0.45) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5152057 | 0.89 | PTGS2 (0.55) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5148854 | 0.89 | PTGS2 (0.39) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9996983 | 0.88 | PTGS2 (0.60) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5148791 | 0.87 | PTGS2 (0.58) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5148848 | 0.87 | PTGS2 (0.40) | PTGS2PTGS1OXTR | |
| SCHEMBL5414201 | 0.87 | PTGS2 (0.41) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5152341 | 0.86 | PTGS2 (0.41) | PTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL5149047 | 0.85 | PTGS2 (0.37) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 |
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-20040116475-A1 | Pyrazole derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-06-17 | — | — | US | disclosed |