Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27912966 | 0.98 | PTGS2 (0.50) | PTGS2CES2CES1MAOAMAOB | |
| SCHEMBL7944718 | 0.84 | PTGS2 (0.55) | PTGS2CES2CES1ESR1ALDH1A1 | |
| SCHEMBL272292 | 0.81 | CES2 (0.51) | PTGS2CES2CES1ESR1ALDH1A1 | |
| SCHEMBL4822579 | 0.81 | PTGS2 (0.52) | PTGS2CES2CES1ESR1ALDH1A1 | |
| SCHEMBL3685990 | 0.81 | PTGS2 (0.52) | PTGS2CES2CES1ESR1ALDH1A1 | |
| SCHEMBL9310815 | 0.79 | MAOA (0.57) | CES2CES1MAOAMAOBESR1 | |
| SCHEMBL17188466 | 0.79 | MAOA (0.57) | CES2CES1MAOAMAOBESR1 | |
| SCHEMBL17188467 | 0.79 | MAOA (0.57) | CES2CES1MAOAMAOBESR1 | |
| SCHEMBL17819374 | 0.79 | PTGS2 (0.50) | PTGS2CES2CES1ESR1ALDH1A1 | |
| SCHEMBL560984 | 0.79 | LMNA (0.51) | PTGS2CES2CES1ESR1PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101160285-A | Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as vr1 receptor antagonists | PFIZER (US) | 2008-04-09 | — | — | CN | disclosed |