Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | PORCN | Q9H237 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20860743 | 0.79 | HPGDS (0.46) | HPGDSPTGS2IDO1NPC1PKM | |
| SCHEMBL8653126 | 0.78 | PTGS2 (0.67) | PTGS2MAPK14PTGS1 | |
| SCHEMBL214496 | 0.76 | PTGS2 (0.59) | PTGS2PTGS1 | |
| Sulfamide SCHEMBL4638971 | 0.76 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL1657188 | 0.70 | — | — | |
| SCHEMBL30075429 | 0.70 | — | — | |
| SCHEMBL5694270 | 0.70 | MAPK14 (0.62) | PTGS2MAPK14PTGS1 | |
| SCHEMBL676678 | 0.70 | HPGDS (0.56) | HPGDSPTGS2NPC1PKMRAB9A | |
| SCHEMBL8993346 | 0.69 | PTGS2 (0.60) | PTGS2PTGS1CYP3A4 | |
| SCHEMBL1610501 | 0.69 | HPGDS (0.47) | HPGDSPTGS2NPC1PKMRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004096206-A2 | THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND A TACE INHIBITOR | PHARMACIA CORPORATION (US) | 2004-11-11 | — | — | WO | disclosed |