Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8681494 | 0.86 | MAPK14 (0.41) | ACHEMAPK14PTGS1PTGS2MAOB | |
| SCHEMBL17147187 | 0.83 | ACHE (0.39) | ACHEMAPK14PTGS1PTGS2LMNA | |
| SCHEMBL24034939 | 0.80 | PTGS2 (0.39) | PTGS2 | |
| SCHEMBL5981523 | 0.78 | SIGMAR1 (0.38) | PTGS2LMNAHTT | |
| SCHEMBL5977660 | 0.78 | ALDH1A1 (0.42) | ACHENPC1RAB9A | |
| SCHEMBL5980672 | 0.78 | ALDH1A1 (0.39) | LMNAMAOBNPC1RAB9A | |
| SCHEMBL5978268 | 0.78 | KIF11 (0.42) | PTGS1PTGS2LMNATHRB | |
| SCHEMBL21094158 | 0.76 | GRM1 (0.31) | — | |
| SCHEMBL25159506 | 0.75 | PTPN1 (0.39) | — | |
| SCHEMBL21469633 | 0.75 | PTGS2 (0.38) | PTGS1PTGS2 |
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-2012061260-A1 | ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2012-05-10 | — | — | WO | disclosed |