Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 11/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 11/20 | 0.53 |
| ▸ | HPGDS | O60760 | 4/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | ESRRG | P62508 | 3/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1784939 | 0.94 | EPHX2 (0.52) | HSD17B1HSD17B2HPGDSEPHX2IKBKB | |
| SCHEMBL1784584 | 0.83 | HPGDS (0.73) | HSD17B1HSD17B2HPGDSEPHX2ESRRG | |
| SCHEMBL1786187 | 0.81 | IKBKB (0.59) | HSD17B2EPHX2IKBKB | |
| SCHEMBL5605133 | 0.79 | EPHX2 (0.61) | HSD17B1HSD17B2EPHX2IKBKB | |
| SCHEMBL5613367 | 0.75 | HDAC6 (0.71) | HSD17B1HSD17B2EPHX2IKBKB | |
| SCHEMBL12607746 | 0.75 | EPHX2 (0.43) | HSD17B1HSD17B2EPHX2ESRRGESR1 | |
| SCHEMBL12607745 | 0.74 | HSD17B2 (0.49) | HSD17B1HSD17B2HPGDSEPHX2IKBKB | |
| SCHEMBL12607747 | 0.72 | ALDH1A1 (0.45) | HSD17B1HSD17B2EPHX2 | |
| SCHEMBL1789489 | 0.72 | FAAH (0.50) | EPHX2 | |
| SCHEMBL3021743 | 0.72 | CHRNB2 (0.61) | — |
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 |