Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | CCKAR | P32238 | 2/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.41 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.41 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.41 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.41 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.41 |
| ▸ | CACNG1 | Q06432 | 1/20 | 0.41 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8420715 | 0.96 | PTGS2 (0.67) | PTGS2PTGS1CYP2C9EGFRCACNA1B | |
| SCHEMBL8422298 | 0.93 | CYP2C9 (0.57) | PTGS2PTGS1CYP2C9EGFRNPY5R | |
| SCHEMBL8424076 | 0.93 | CYP2C9 (0.57) | PTGS2PTGS1CYP2C9EGFRNPY5R | |
| SCHEMBL6903209 | 0.91 | CYP2C9 (0.61) | PTGS2PTGS1CYP2C9EGFRNPY5R | |
| SCHEMBL8420267 | 0.91 | PTGS2 (0.58) | PTGS2PTGS1CYP2C9EGFRNPY5R | |
| SCHEMBL8420750 | 0.87 | CYP2C9 (0.63) | PTGS2PTGS1CYP2C9EGFRNPY5R | |
| SCHEMBL8421778 | 0.87 | PTGS2 (0.56) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8420860 | 0.87 | PTGS2 (0.56) | PTGS2PTGS1CYP2C9EGFR | |
| SCHEMBL8421509 | 0.86 | PTGS2 (0.50) | PTGS2PTGS1CYP2C9CACNA1BCACNB4 | |
| SCHEMBL8733829 | 0.85 | PTGS2 (0.54) | PTGS2PTGS1CYP2C9EGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1443967-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | Novartis AG (CH) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003039599-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | NOVARTIS AG (CH) | 2003-05-15 | — | — | WO | disclosed |