Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11257938 | 0.77 | CA12 (0.48) | ALDH1A1CASP1CASP7HSD17B10L3MBTL1 | |
| SCHEMBL7172429 | 0.77 | LMNA (0.48) | ALDH1A1CASP1L3MBTL1MAPK1POLB | |
| SCHEMBL7172425 | 0.77 | LMNA (0.48) | ALDH1A1CASP1L3MBTL1MAPK1POLB | |
| SCHEMBL6288740 | 0.74 | ALDH1A1 (0.38) | ALDH1A1HPGDMAPK1POLBGFER | |
| SCHEMBL7170246 | 0.70 | PDE4B (0.53) | ALDH1A1CASP1KDM4EHPGDMAPK1 | |
| SCHEMBL7170243 | 0.70 | PDE4B (0.53) | ALDH1A1CASP1KDM4EHPGDMAPK1 | |
| SCHEMBL1808153 | 0.70 | KDM4E (0.49) | ALDH1A1KDM4EMAPK1MALT1CYP3A4 | |
| SCHEMBL7174936 | 0.69 | PDE4B (0.66) | ALDH1A1CASP1HSD17B10KDM4EHPGD | |
| SCHEMBL7175061 | 0.69 | PDE4B (0.66) | ALDH1A1CASP1HSD17B10KDM4EHPGD | |
| SCHEMBL7177909 | 0.69 | PDE4B (0.66) | ALDH1A1CASP1HSD17B10KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6956055-B2 | Substituted γ-lactone compounds as NMDA-antagonists | GRUNENTHAL GMBH (DE) | 2005-10-18 | — | — | US | disclosed |