Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TYMS | P04818 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7714251 | 0.85 | HTT (0.50) | SMN1; SMN2RECQLALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL7712415 | 0.82 | ALDH1A1 (0.41) | SMN1; SMN2KMT2ARECQLALDH1A1SLC6A2 | |
| SCHEMBL7714270 | 0.80 | CYP1A2 (0.47) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL5206240 | 0.80 | NOS1 (0.45) | RECQLXDHLMNAMASP2 | |
| SCHEMBL5202653 | 0.77 | TEAD4 (0.42) | NPC1MEN1RAB9AKMT2AALDH1A1 | |
| SCHEMBL7714596 | 0.77 | XDH (0.42) | MEN1KMT2ARECQLSLC6A2SLC6A4 | |
| SCHEMBL7712437 | 0.75 | ALDH1A1 (0.50) | SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL7712501 | 0.74 | XDH (0.45) | SMN1; SMN2KMT2ARECQLALDH1A1XDH | |
| SCHEMBL7712456 | 0.74 | MEN1 (0.44) | MEN1KMT2AALDH1A1XDHTYMS | |
| SCHEMBL5202525 | 0.74 | MAPK14 (0.45) | MAP4K4 |
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 |