Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | PYGL | P06737 | 5/20 | 0.47 |
| ▸ | PYGM | P11217 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.46 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Methane SCHEMBL9049828 | 0.98 | PYGL (0.46) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4826771 | 0.86 | PTK2B (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL30960380 | 0.83 | MAPT (0.53) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL219216 | 0.83 | MAPT (0.53) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4335722 | 0.77 | GLA (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4232147 | 0.77 | PYGL (0.66) | PYGLPYGMDDB1CRBNRIPK1 | |
| SCHEMBL4216634 | 0.77 | PYGL (0.66) | PYGLPYGMDDB1CRBNRIPK1 | |
| SCHEMBL1976547 | 0.77 | PYGL (0.66) | PYGLPYGMDDB1CRBNRIPK1 | |
| SCHEMBL4623734 | 0.76 | SIRT1 (0.46) | ALDH1A1 | |
| SCHEMBL12598688 | 0.75 | NPC1 (0.52) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0382687-B1 | Benzofused-N-containing heterocycle derivatives | BOEHRINGER INGELHEIM ITALIA (IT) | 1995-12-27 | — | — | EP | disclosed |
| WO-1995004534-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-02-16 | — | — | WO | disclosed |
| EP-0382687-A2 | Benzofused-N-containing heterocycle derivatives | BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) | 1990-08-16 | — | — | EP | disclosed |