Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.45 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5190872 | 0.85 | PARP1 (0.42) | PARP1NAMPTPARP2HTR4KCNH2 | |
| SCHEMBL5136169 | 0.85 | NAMPT (0.41) | PARP1NAMPTPARP2CNR1CNR2 | |
| SCHEMBL20822490 | 0.80 | PARP1 (0.43) | PARP1OPRL1KCNH2 | |
| SCHEMBL1872682 | 0.78 | PARP1 (0.75) | PARP1PARP2 | |
| SCHEMBL5135453 | 0.76 | THRB (0.40) | PARP1NAMPTPARP2HTR4KCNH2 | |
| SCHEMBL457994 | 0.75 | HTR2C (0.42) | PARP1KCNH2 | |
| SCHEMBL5134528 | 0.74 | THRB (0.38) | PARP1NAMPTCNR1CNR2HTR4 | |
| SCHEMBL29975169 | 0.73 | CNR1 (0.36) | PARP1NAMPTPARP2CNR1CNR2 | |
| SCHEMBL4359674 | 0.73 | KDM4E (0.45) | PARP1 | |
| SCHEMBL12897596 | 0.72 | DRD2 (0.59) | DRD2DRD4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1901746-A2 | 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS | Merck & Co., Inc. (US) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007002884-A2 | 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |