Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 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 | |
|---|---|---|---|---|
| SCHEMBL8422298 | 0.98 | CYP2C9 (0.57) | CYP2C9PTGS2PTGS1EGFRSMN1; SMN2 | |
| SCHEMBL8424076 | 0.98 | CYP2C9 (0.57) | CYP2C9PTGS2PTGS1EGFRSMN1; SMN2 | |
| SCHEMBL8733829 | 0.94 | PTGS2 (0.54) | CYP2C9PTGS2PTGS1EGFRSMN1; SMN2 | |
| SCHEMBL8421778 | 0.92 | PTGS2 (0.56) | CYP2C9PTGS2PTGS1SMN1; SMN2NPC1 | |
| SCHEMBL8420750 | 0.92 | CYP2C9 (0.63) | CYP2C9PTGS2PTGS1EGFRSMN1; SMN2 | |
| SCHEMBL7054592 | 0.91 | PTGS2 (0.63) | CYP2C9PTGS2PTGS1EGFRNPY5R | |
| SCHEMBL8423752 | 0.90 | CYP2C9 (0.49) | CYP2C9PTGS2PTGS1EGFRSMN1; SMN2 | |
| SCHEMBL8422283 | 0.90 | CYP2C9 (0.49) | CYP2C9PTGS2PTGS1EGFRSMN1; SMN2 | |
| SCHEMBL8421509 | 0.90 | PTGS2 (0.50) | CYP2C9PTGS2PTGS1MAPK9 | |
| SCHEMBL8422286 | 0.88 | PTGS2 (0.52) | CYP2C9PTGS2PTGS1SMN1; SMN2NPC1 |
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 |