Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | LPL | P06858 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | FOXM1 | Q08050 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL16622986 | 0.92 | KDM4E (0.52) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL14293115 | 0.78 | LPL (0.48) | ALDH1A1CA1CA2CA9MEN1 | |
| SCHEMBL19467911 | 0.77 | HTR1B (0.50) | CA1CA2CA9HIF1AAAK1 | |
| SCHEMBL427591 | 0.77 | CA1 (0.56) | CA1CA2CA9HIF1AAAK1 | |
| SCHEMBL3341978 | 0.75 | CA1 (0.40) | CA1CA2CA9HIF1AAAK1 | |
| SCHEMBL16178844 | 0.75 | CA1 (0.46) | CA1CA2CA9HPGDHIF1A | |
| SCHEMBL29455775 | 0.74 | CA1 (0.50) | CA1CA2CA9HIF1AAAK1 | |
| SCHEMBL1561199 | 0.74 | LPL (0.49) | CA1CA2CA9HIF1AAAK1 | |
| SCHEMBL25405585 | 0.74 | LPL (0.53) | CA1CA2CA9HIF1AAAK1 | |
| SCHEMBL428836 | 0.74 | LPL (0.53) | CA1CA2CA9HIF1AAAK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |