Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 10/20 | 0.40 |
| ▸ | DRD3 | P35462 | 9/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL4082356 | 0.92 | DPP4 (0.42) | DPP4DPP8DRD2DRD3HTR1D | |
| SCHEMBL29233307 | 0.83 | DRD2 (0.41) | DRD2DRD3HTR1DMTNR1B | |
| SCHEMBL29221681 | 0.82 | SMN1; SMN2 (0.47) | DPP4DPP8MTNR1BKDM4EALDH1A1 | |
| SCHEMBL2121244 | 0.81 | ESR1 (0.40) | DRD2DRD3HTR1D | |
| SCHEMBL4084257 | 0.80 | MTNR1B (0.50) | MTNR1B | |
| SCHEMBL5777461 | 0.80 | DRD2 (0.49) | DRD2DRD3HTR1D | |
| SCHEMBL4032578 | 0.79 | ESR1 (0.51) | DRD2DRD3CA12CA1CA2 | |
| SCHEMBL2123254 | 0.79 | DRD2 (0.38) | DRD2DRD3HTR1D | |
| SCHEMBL19643119 | 0.78 | DRD2 (0.37) | DRD2DRD3HTR1D | |
| SCHEMBL2123936 | 0.78 | CAMK2A (0.43) | DPP4DPP8CA12CA1CA2 |
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-2054383-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |