Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13746006 | 0.87 | TYMS (0.39) | TYMSKDM4EALDH1A1HPGDHTT | |
| SCHEMBL13746627 | 0.84 | USP1 (0.34) | TYMSPIK3CAKDM4EALDH1A1NPC1 | |
| SCHEMBL13746667 | 0.81 | PDE2A (0.37) | TYMSPIK3CA | |
| SCHEMBL13746623 | 0.77 | FASN (0.37) | — | |
| SCHEMBL13746305 | 0.72 | TYMS (0.41) | TYMSKDM4EHPGDHTT | |
| SCHEMBL13746236 | 0.72 | TYMS (0.41) | TYMSKDM4EHPGDHTT | |
| SCHEMBL13746410 | 0.71 | TYMS (0.39) | TYMSKDM4EALDH1A1HPGD | |
| SCHEMBL4755648 | 0.68 | PIK3CA (0.35) | PIK3CA | |
| SCHEMBL13746295 | 0.68 | — | — | |
| SCHEMBL13745968 | 0.68 | PIK3CA (0.36) | TYMSPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009100403-A1 | SUBSTITUTED ARYL PYRIMIDINONES | NEUROGEN CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |