Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.38 |
| ▸ | DHODH | Q02127 | 5/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15180990 | 0.89 | PTGS2 (0.43) | PTGS2AKR1C3AKR1C2DHODHPDE3B | |
| SCHEMBL14365637 | 0.89 | PDE3B (0.40) | PTGS2AKR1C3AKR1C2PDE3BPDE3A | |
| SCHEMBL10014183 | 0.85 | AKR1C3 (0.44) | PTGS2AKR1C3AKR1C2DHODHPDE3B | |
| SCHEMBL20687821 | 0.85 | PDE3B (0.43) | PTGS2AKR1C3AKR1C2DHODHPDE3B | |
| SCHEMBL10018710 | 0.84 | PTGS2 (0.40) | PTGS2AKR1C3AKR1C2PDE3BPDE3A | |
| SCHEMBL10018717 | 0.82 | HDAC1 (0.39) | DHODH | |
| SCHEMBL10024800 | 0.81 | PDE3B (0.42) | PTGS2AKR1C3AKR1C2PDE3BPDE3A | |
| SCHEMBL4438303 | 0.81 | PDE3B (0.42) | PTGS2AKR1C3AKR1C2PDE3BPDE3A | |
| SCHEMBL17359249 | 0.81 | PTGS2 (0.37) | PTGS2AKR1C3AKR1C2DHODHPDE3B | |
| SCHEMBL881045 | 0.81 | PDE3B (0.35) | PTGS2AKR1C3AKR1C2PDE3BPDE3A |
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-2012052100-A1 | SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2012-04-26 | — | — | WO | disclosed |