Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL288350 | 0.90 | DRD2 (0.53) | DRD2DRD4NISCHKDM4EMAPT | |
| SCHEMBL4627275 | 0.87 | DRD2 (0.37) | DRD2DRD4KDM4EMAPTALDH1A1 | |
| SCHEMBL20666512 | 0.79 | MAPT (0.50) | DRD2DRD4NISCHKDM4EMAPT | |
| SCHEMBL8526813 | 0.78 | DRD2 (0.57) | DRD2DRD4KDM4EMAPTALDH1A1 | |
| SCHEMBL27265657 | 0.75 | DRD2 (0.53) | DRD2DRD4KDM4EMAPTALDH1A1 | |
| SCHEMBL3238417 | 0.75 | DRD2 (0.49) | DRD2DRD4KDM4EMAPTALDH1A1 | |
| SCHEMBL3245294 | 0.75 | DRD2 (0.49) | DRD2DRD4KDM4EMAPTALDH1A1 | |
| SCHEMBL3231505 | 0.72 | DRD2 (0.46) | DRD2DRD4KDM4EMAPTALDH1A1 | |
| SCHEMBL3238840 | 0.71 | DRD2 (0.49) | DRD2DRD4NISCHKDM4EMAPT | |
| SCHEMBL3236359 | 0.71 | DRD2 (0.45) | DRD2DRD4KDM4EMAPTALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214287-B1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | ASTRAZENECA AB (SE) | 2008-07-02 | — | — | EP | disclosed |
| US-6878712-B1 | Amides as inhibitors for pyruvate dehydrogenase | ASTRAZENECA AB (SE) | 2005-04-12 | — | — | US | disclosed |
| EP-1214287-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | AstraZeneca AB (SE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001017942-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | ASTRAZENECA AB (SE) | 2001-03-15 | — | — | WO | disclosed |