Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TYMS | P04818 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5202525 | 0.80 | MAPK14 (0.45) | TRPA1 | |
| SCHEMBL7712456 | 0.78 | MEN1 (0.44) | XDHTRPA1TYMSMEN1KMT2A | |
| SCHEMBL7712418 | 0.77 | SMN1; SMN2 (0.41) | XDHTYMSSLC6A2SLC6A4MEN1 | |
| SCHEMBL7714251 | 0.77 | HTT (0.50) | SLC6A2SLC6A4SLC6A3RECQL | |
| SCHEMBL7712415 | 0.77 | ALDH1A1 (0.41) | XDHTYMSSLC6A2SLC6A4KMT2A | |
| SCHEMBL7712364 | 0.76 | USP2 (0.45) | SLC6A2SLC6A4HTR1AKMT2ASLC22A12 | |
| SCHEMBL5206393 | 0.75 | MEN1 (0.39) | TYMSSLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL5204487 | 0.74 | SOS1 (0.40) | TRPA1TYMSSLC6A4KMT2ASLC22A12 | |
| SCHEMBL5206240 | 0.74 | NOS1 (0.45) | XDHNOS1RECQL | |
| SCHEMBL27859496 | 0.72 | SLC6A2 (0.50) | TRPA1SLC6A2SLC6A4HTR1AEGLN1 |
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 |