Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 5/20 | 0.37 |
| ▸ | PARP1 | P09874 | 9/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5135169 | 0.86 | PARP1 (0.39) | OPRM1PARP1PARP2AURKARPS6KB1 | |
| SCHEMBL5134855 | 0.76 | OPRL1 (0.34) | OPRL1 | |
| SCHEMBL5332677 | 0.74 | OPRL1 (0.33) | OPRL1 | |
| SCHEMBL30849224 | 0.68 | PARP1 (0.40) | OPRM1PARP1AURKA | |
| SCHEMBL20822490 | 0.67 | PARP1 (0.43) | PARP1OPRL1 | |
| SCHEMBL25436221 | 0.66 | PARP1 (0.41) | PARP1PARP2AURKA | |
| SCHEMBL5136172 | 0.65 | IRAK4 (0.38) | PARP1PARP2AURKARPS6KB1CNR1 | |
| SCHEMBL30343973 | 0.65 | CCR2 (0.38) | PARP1 | |
| SCHEMBL17185049 | 0.65 | PARP1 (0.46) | PARP1PARP2AURKARPS6KB1 | |
| SCHEMBL5190879 | 0.65 | IRAK4 (0.36) | PARP1CNR1CNR2 |
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-1942893-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | Merck & Co., Inc. (US) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007053400-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO., INC. (US) | 2007-05-10 | — | — | WO | disclosed |