Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 10/20 | 0.58 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1785365 | 0.91 | ERN1 (0.52) | ERN1CCNE2CCNE1CDK2PTGES | |
| SCHEMBL1787692 | 0.87 | ERN1 (0.74) | ERN1CCNE2CCNE1CDK2PTGES | |
| SCHEMBL12767045 | 0.74 | ERN1 (1.00) | ERN1 | |
| SCHEMBL1347475 | 0.70 | ERN1 (0.72) | ERN1PDK2DPP4PARP1 | |
| SCHEMBL2552977 | 0.69 | ERN1 (0.78) | ERN1PARP1 | |
| SCHEMBL16399474 | 0.68 | KIF11 (0.47) | ERN1CCNE2CCNE1CDK2 | |
| SCHEMBL3718585 | 0.68 | KIF11 (0.57) | ERN1PTGESPDK2DHODHAKR1C3 | |
| SCHEMBL1347703 | 0.68 | ERN1 (0.67) | ERN1CCNE2CCNE1CDK2DHODH | |
| SCHEMBL1345412 | 0.68 | ERN1 (0.67) | ERN1PARP1 | |
| SCHEMBL18717087 | 0.68 | ERN1 (0.82) | ERN1 |
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 |