Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6058970 | 0.91 | GRIN2B (0.38) | GRIN2BCYP17A1MAPTMAPK1PTGER1 | |
| SCHEMBL6058921 | 0.90 | GRIN2B (0.37) | GRIN2BCYP17A1MAPTMAPK1PTGER1 | |
| SCHEMBL6059235 | 0.89 | PTGER1 (0.39) | GRIN2BCYP17A1MAPTMAPK1PTGER1 | |
| SCHEMBL6058760 | 0.88 | GRIN2B (0.40) | GRIN2BCYP17A1MAPTMAPK1HDAC1 | |
| SCHEMBL6059212 | 0.86 | GRIN2B (0.42) | GRIN2BMAPTMAPK1HDAC1SYK | |
| SCHEMBL6058763 | 0.83 | CYP17A1 (0.39) | GRIN2BCYP17A1MAPTMAPK1PTGER1 | |
| SCHEMBL6058758 | 0.80 | NAMPT (0.41) | GRIN2BCYP17A1MAPK1NAMPTHDAC1 | |
| SCHEMBL6058894 | 0.79 | CYP17A1 (0.39) | GRIN2BCYP17A1MAPTMAPK1PTGER1 | |
| SCHEMBL6059026 | 0.78 | GRIN2B (0.37) | GRIN2BCYP17A1MAPTMAPK1PTGER1 | |
| SCHEMBL28258035 | 0.76 | GRIN2B (0.39) | GRIN2BCYP17A1MAPK1NAMPTHDAC1 |
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-7071175-B1 | Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors | ASTRAZENECA AB (SE) | 2006-07-04 | — | — | US | disclosed |