Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MASP2 | O00187 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL5206842 | 0.82 | MEN1 (0.53) | ALDH1A1HPGDKMT2ASLC6A2SLC6A3 | |
| SCHEMBL7712418 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1HTTHPGDKMT2AMAP4K4 | |
| SCHEMBL7714251 | 0.82 | HTT (0.50) | ALDH1A1HTTHPGDSLC6A2SLC6A4 | |
| SCHEMBL5206240 | 0.80 | NOS1 (0.45) | XDHRECQLLMNAMASP2LTA4H | |
| SCHEMBL5202998 | 0.77 | LTA4H (0.57) | ALDH1A1HPGDKMT2AXDHRECQL | |
| SCHEMBL7714596 | 0.77 | XDH (0.42) | KMT2AXDHSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5202758 | 0.76 | LTA4H (0.36) | ALDH1A1KMT2AXDHTYMSLTA4H | |
| SCHEMBL7708592 | 0.75 | RHEB (0.42) | KMT2AMAP4K4XDHSLC6A4PTGS1 | |
| SCHEMBL7714270 | 0.74 | CYP1A2 (0.47) | SLC6A2SLC6A4SLC6A3TYMSLMNA | |
| SCHEMBL5206393 | 0.74 | MEN1 (0.39) | KMT2ASLC6A2SLC6A4SLC6A3PTGS1 |
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 |