Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TERT | O14746 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13055402 | 0.86 | CYP17A1 (0.59) | CYP17A1CA1PTPN11PSMB8NAMPT | |
| SCHEMBL21781875 | 0.85 | CYP17A1 (0.52) | CYP17A1CA1CA2PTPN11NAMPT | |
| SCHEMBL15692011 | 0.85 | NAMPT (0.58) | CYP17A1CA1CA2PTPN11LTA4H | |
| SCHEMBL12130299 | 0.85 | CYP17A1 (0.54) | CYP17A1CA1CA2PSMB8NAMPT | |
| SCHEMBL14116517 | 0.84 | MEN1 (0.54) | CA1CA2LTA4HCA12CA9 | |
| SCHEMBL16927179 | 0.83 | CYP17A1 (0.52) | CYP17A1CA1CA2PTPN11PSMB8 | |
| SCHEMBL7079572 | 0.83 | CYP17A1 (0.52) | CYP17A1CA1CA2PTPN11PSMB8 | |
| SCHEMBL14861108 | 0.83 | CYP17A1 (0.52) | CYP17A1CA1CA2PTPN11PSMB8 | |
| SCHEMBL13193491 | 0.83 | CYP17A1 (0.52) | CYP17A1CA1CA2PTPN11PSMB8 | |
| SCHEMBL34480 | 0.83 | CYP17A1 (0.59) | CYP17A1PSMB8NAMPTMAPKAPK2MAP4K4 |
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-6479488-B1 | GOOD IN VITRO AFFINITY FOR THE STRYCHNINE INSENSITIVE GLYCINE BINDING SITE ASSOCIATED WITH THE NMDA RECEPTOR COMPLEX BUT ALSO GOOD IN VIVO ACTIVITY WHEN ADMINISTERED SYSTEMICALLY | GLAXO WELLCOME SPA (IT) | 2002-11-12 | — | — | US | disclosed |