Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHEB | Q15382 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | SELE | P16581 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PPP1CA | P62136 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7712364 | 0.83 | USP2 (0.45) | MAP4K4SLC6A4KMT2A | |
| SCHEMBL7712437 | 0.83 | ALDH1A1 (0.50) | CYP1A2CYP2C9CYP2C19XDHLMNA | |
| SCHEMBL7712389 | 0.83 | MAPT (0.49) | XDHLMNAL3MBTL1MEN1KMT2A | |
| SCHEMBL5202998 | 0.82 | LTA4H (0.57) | CYP1A2CYP2C9CYP2C19XDHLTA4H | |
| SCHEMBL5206240 | 0.82 | NOS1 (0.45) | XDHLMNALTA4H | |
| SCHEMBL5206842 | 0.79 | MEN1 (0.53) | RHEBCYP1A2CYP2C9LMNAPTGS1 | |
| SCHEMBL5204487 | 0.79 | SOS1 (0.40) | LMNAMAP4K4LTA4HSLC6A4KMT2A | |
| SCHEMBL7714270 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2C19LMNAICAM1SELE | |
| SCHEMBL5206393 | 0.77 | MEN1 (0.39) | PTGS1PTGS2LTA4HSLC6A4MEN1 | |
| SCHEMBL7712415 | 0.75 | ALDH1A1 (0.41) | XDHLMNAPTGS1PTGS2MAP4K4 |
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 |