Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 6/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31649740 | 0.80 | KDM1A (0.32) | MAOBMAOA | |
| SCHEMBL10241538 | 0.75 | PTGS2 (0.37) | MAOBMAOA | |
| SCHEMBL27544386 | 0.75 | MAOB (0.34) | MAOBMAOA | |
| SCHEMBL8845508 | 0.70 | MAOB (0.45) | KCNH2MAOBMAOA | |
| SCHEMBL2610462 | 0.70 | LMNA (0.35) | MAOB | |
| Phosphine SCHEMBL28692039 | 0.69 | MAOB (0.43) | KCNH2MAOBMAOA | |
| SCHEMBL28829896 | 0.69 | MAOB (0.44) | MAOBMAOACCR2 | |
| SCHEMBL14401494 | 0.68 | KDM4E (0.41) | KCNH2MAOBMAOA | |
| SCHEMBL4344735 | 0.68 | KDM4E (0.41) | KCNH2MAOBMAOA | |
| SCHEMBL13914853 | 0.68 | KDM4E (0.41) | KCNH2MAOBMAOA |
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-7834008-B2 | neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide | H. LUNDBECK A/S (DK) | 2010-11-16 | — | — | US | disclosed |