Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | CACNB4 | O00305 | 3/20 | 0.39 |
| ▸ | CACNA1A | O00555 | 3/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 3/20 | 0.39 |
| ▸ | CACNG3 | O60359 | 3/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.39 |
| ▸ | CACNB3 | P54284 | 3/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8423752 | 0.96 | CYP2C9 (0.49) | CYP2C9PTGS2PTGS1NPC1ALDH1A1 | |
| SCHEMBL8421509 | 0.91 | PTGS2 (0.50) | CYP2C9PTGS2PTGS1CACNB4CACNA1A | |
| SCHEMBL6903209 | 0.90 | CYP2C9 (0.61) | CYP2C9PTGS2PTGS1NPC1ALDH1A1 | |
| SCHEMBL8424076 | 0.90 | CYP2C9 (0.57) | CYP2C9PTGS2PTGS1NPC1ALDH1A1 | |
| SCHEMBL8422298 | 0.90 | CYP2C9 (0.57) | CYP2C9PTGS2PTGS1NPC1ALDH1A1 | |
| SCHEMBL8420106 | 0.90 | PTGS2 (0.48) | CYP2C9PTGS2PTGS1CHRNA7 | |
| SCHEMBL8733829 | 0.89 | PTGS2 (0.54) | CYP2C9PTGS2PTGS1NPC1RAB9A | |
| SCHEMBL8421778 | 0.89 | PTGS2 (0.56) | CYP2C9PTGS2PTGS1NPC1RAB9A | |
| SCHEMBL8423598 | 0.88 | PTGS2 (0.47) | CYP2C9PTGS2PTGS1NPC1RAB9A | |
| SCHEMBL8421736 | 0.87 | PTGS2 (0.46) | CYP2C9PTGS2PTGS1SMN1; SMN2LMNA |
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-5908852-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G. D. SEARLE & CO. (US) | 1999-06-01 | — | — | US | disclosed |