Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.42 |
| ▸ | HTR4 | Q13639 | 5/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL5135453 | 0.88 | THRB (0.40) | PARP1HTR4PARP2OPRM1NAMPT | |
| SCHEMBL5136171 | 0.85 | PARP1 (0.45) | PARP1HTR4PARP2NAMPTKCNH2 | |
| SCHEMBL5134528 | 0.81 | THRB (0.38) | PARP1HTR4OPRM1NAMPTOPRK1 | |
| SCHEMBL5140428 | 0.78 | THRB (0.39) | PARP1HTR4OPRM1NAMPTTHRB | |
| SCHEMBL20822490 | 0.74 | PARP1 (0.43) | PARP1OPRK1KCNH2 | |
| SCHEMBL5136169 | 0.74 | NAMPT (0.41) | PARP1HTR4PARP2OPRM1NAMPT | |
| SCHEMBL16101128 | 0.70 | HTR4 (0.40) | HTR4OPRM1NAMPTOPRK1TACR2 | |
| SCHEMBL27622038 | 0.70 | IKBKB (0.43) | PARP1OPRM1OPRK1KCNH2 | |
| SCHEMBL29975169 | 0.69 | CNR1 (0.36) | PARP1HTR4PARP2OPRM1NAMPT | |
| SCHEMBL15147931 | 0.68 | OPRL1 (0.37) | — |
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 |