Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.43 |
| ▸ | CBFB | Q13951 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
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) | ALDH1A1GAAXDHMAPTMEN1 | |
| SCHEMBL7708428 | 0.83 | NOS1 (0.51) | MAP4K4TDO2XDHMEN1KMT2A | |
| SCHEMBL11545985 | 0.82 | MASP2 (0.56) | ALDH1A1XDHMAPT | |
| SCHEMBL6049622 | 0.79 | TYMS (0.44) | ALDH1A1KDM4EGAAMAPTMEN1 | |
| SCHEMBL19471383 | 0.74 | LTA4H (0.81) | LTA4HPOLBMAPTRAB9ANPC1 | |
| SCHEMBL5202998 | 0.72 | LTA4H (0.57) | LTA4HALDH1A1KDM4EXDHMAPT | |
| SCHEMBL5206921 | 0.72 | PLA2G7 (0.49) | LTA4H | |
| SCHEMBL6049582 | 0.72 | NUDT1 (0.50) | XDH | |
| SCHEMBL7512558 | 0.72 | RXFP1 (0.50) | LTA4HALDH1A1KDM4EXDHCYP1A2 | |
| SCHEMBL2227162 | 0.71 | KMO (0.54) | MAP4K4XDHMINK1 |
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 |