Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 9/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1737808 | 1.00 | CHRM4 (0.40) | CHRM4ROCK2SIGMAR1CHRM2CHRM1 | |
| SCHEMBL1738674 | 1.00 | CHRM4 (0.40) | CHRM4ROCK2SIGMAR1CHRM2CHRM1 | |
| SCHEMBL1738727 | 1.00 | CHRM4 (0.40) | CHRM4ROCK2SIGMAR1CHRM2CHRM1 | |
| SCHEMBL4475863 | 1.00 | CHRM4 (0.40) | CHRM4ROCK2SIGMAR1CHRM2CHRM1 | |
| SCHEMBL4475866 | 1.00 | CHRM4 (0.40) | CHRM4ROCK2SIGMAR1CHRM2CHRM1 | |
| SCHEMBL1737806 | 1.00 | CHRM4 (0.40) | CHRM4ROCK2SIGMAR1CHRM2CHRM1 | |
| SCHEMBL4486373 | 1.00 | CHRM4 (0.40) | CHRM4ROCK2SIGMAR1CHRM2CHRM1 | |
| SCHEMBL1737277 | 0.95 | CHRM4 (0.39) | CHRM4ROCK2SIGMAR1CHRM2CHRM1 | |
| SCHEMBL1737753 | 0.89 | ROCK2 (0.40) | CHRM4ROCK2SIGMAR1PARP1PARP2 | |
| SCHEMBL1737725 | 0.89 | ROCK2 (0.40) | CHRM4ROCK2SIGMAR1PARP1PARP2 |
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-7479559-B2 | 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation | PFIZER INC. (US) | 2009-01-20 | — | — | US | claimed |