Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.63 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.55 |
| ▸ | CDC42 | P60953 | 1/20 | 0.55 |
| ▸ | RAC1 | P63000 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8589302 | 0.87 | PTGS2 (0.63) | PTGS2PTGS1AKR1C3AKR1C2APP | |
| SCHEMBL1922871 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL10318321 | 0.83 | PTGS2 (0.46) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL10318257 | 0.83 | PTGS2 (0.46) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL25379205 | 0.83 | PTGS2 (0.46) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL27608745 | 0.83 | PTGS1 (0.59) | PTGS2PTGS1AKR1C3 | |
| SCHEMBL2347876 | 0.82 | PTGS2 (0.45) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL16542551 | 0.82 | PTGS2 (0.45) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL490635 | 0.81 | PTGS2 (0.57) | PTGS2PTGS1AKR1C3AKR1C2CDC42 | |
| SCHEMBL30946604 | 0.81 | PTGS2 (0.57) | PTGS2PTGS1AKR1C3AKR1C2CDC42 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2620433-B1 | SUBSTITUTED AMIDE COMPOUND | ASTELLAS PHARMA INC (JP) | 2015-05-13 | — | — | EP | disclosed |
| EP-2632269-A1 | CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058187-A1 | CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| US-7910592-B2 | CETP inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-03-22 | — | — | US | disclosed |