Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 3/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | USP7 | Q93009 | 1/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
| ▸ | MASP2 | O00187 | 1/20 | 0.37 |
| ▸ | TYMP | P19971 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7714691 | 0.84 | DGAT1 (0.43) | NOS1MEN1KMT2AXDHTYMS | |
| SCHEMBL7708406 | 0.83 | LTA4H (0.50) | TDO2RAB9AMAP4K4MEN1NPC1 | |
| SCHEMBL11545985 | 0.82 | MASP2 (0.56) | NOS1XDHMASP2FGFR1 | |
| SCHEMBL14072020 | 0.76 | MAP4K4 (0.43) | NOS1ADORA1RAB9AMAP4K4NPC1 | |
| SCHEMBL8221175 | 0.74 | MASP2 (0.66) | NOS1TDO2MAPK14MASP2GSK3A | |
| SCHEMBL7712456 | 0.72 | MEN1 (0.44) | NOS1MEN1KMT2AXDHTYMS | |
| SCHEMBL11542411 | 0.71 | — | — | |
| SCHEMBL14081814 | 0.70 | ESR1 (0.38) | ADORA1MAPK14ABL1GSK3AGSK3B | |
| SCHEMBL27552529 | 0.68 | ADORA1 (0.49) | NOS1ADORA1TDO2RAB9AMAP4K4 | |
| SCHEMBL12820646 | 0.66 | — | — |
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-6440965-B1 | Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system | KRENITSKY PHARMACEUTICALS, INC. | 2002-08-27 | — | — | US | disclosed |