Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.49 |
| ▸ | F10 | P00742 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
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 SCHEMBL5417976 | 0.99 | PTGS2 (0.48) | PTGS2PTGS1F10CYP1A2CYP2C9 | |
| SCHEMBL5147825 | 0.90 | PTGS2 (0.48) | PTGS2PTGS1F10CYP1A2CYP2C9 | |
| SCHEMBL5148681 | 0.84 | PTGS2 (0.43) | PTGS2PTGS1F10CYP1A2CYP2C9 | |
| SCHEMBL5148697 | 0.84 | PTGS2 (0.46) | PTGS2PTGS1F10 | |
| SCHEMBL5149166 | 0.83 | PTGS2 (0.45) | PTGS2PTGS1F10CYP1A2CYP2C9 | |
| SCHEMBL5148863 | 0.83 | PTGS2 (0.48) | PTGS2PTGS1F10ALDH1A1 | |
| SCHEMBL5148978 | 0.83 | PTGS2 (0.46) | PTGS2PTGS1F10ALDH1A1MAPT | |
| SCHEMBL5148689 | 0.82 | PTGS2 (0.51) | PTGS2PTGS1F10CYP1A2CYP2C9 | |
| SCHEMBL6341956 | 0.80 | PTGS2 (0.76) | PTGS2PTGS1F10 | |
| SCHEMBL14504764 | 0.76 | PTGS2 (0.77) | PTGS2PTGS1CYP1A2CYP2C9CYP3A4 |
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-7183306-B2 | Pyrazole derivatives | ASTELLAS PHARMA INC. (JP) | 2007-02-27 | — | — | US | disclosed |