Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRNA10 | Q9GZZ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL3038342 | 0.80 | ENPP2 (0.41) | ENPP2NPC1EPHX1CYP2D6EPHX2 | |
| SCHEMBL3051703 | 0.76 | PPARD (0.36) | ENPP2EPHX1CYP2D6EPHX2SLC6A2 | |
| Acetic Acid SCHEMBL3948445 | 0.74 | HDAC1 (0.52) | ENPP2NPC1PTGS2EPHX1CYP2D6 | |
| Acetic Acid SCHEMBL3038340 | 0.74 | HDAC1 (0.52) | ENPP2NPC1PTGS2EPHX1CYP2D6 | |
| SCHEMBL28972109 | 0.70 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3HSD11B1 | |
| SCHEMBL13137256 | 0.69 | NPC1 (0.52) | ENPP2NPC1EPHX1CYP2D6EPHX2 | |
| SCHEMBL31369576 | 0.65 | PTGS2 (0.58) | ENPP2NPC1PTGS2CYP17A1CYP11B1 | |
| SCHEMBL13802501 | 0.65 | ENPP2 (0.66) | ENPP2NPC1PTGS2EPHX1CYP2D6 | |
| SCHEMBL28743903 | 0.65 | PTGS2 (0.48) | ENPP2NPC1PTGS2EPHX1CYP2D6 | |
| SCHEMBL19391065 | 0.65 | PTGS2 (0.60) | ENPP2NPC1PTGS2CYP17A1CYP11B1 |
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-2049481-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |