Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.68 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.64 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.60 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.60 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.60 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.60 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.60 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.60 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.60 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.60 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.60 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL28029638 | 0.91 | CLK4 (0.72) | NPC1CLK4DYRK1ACYP1A2CYP3A4 | |
| SCHEMBL4894241 | 0.82 | CLK4 (0.56) | NPC1CLK4DYRK1ACYP1A2CYP3A4 | |
| SCHEMBL2666349 | 0.80 | CLK4 (0.70) | CLK4DYRK1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31230014 | 0.80 | CLK4 (0.70) | CLK4DYRK1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL25269044 | 0.80 | CLK4 (0.70) | CLK4DYRK1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8382254 | 0.79 | NPC1 (0.62) | NPC1CLK4DYRK1ACYP1A2CYP3A4 | |
| SCHEMBL12302829 | 0.79 | CLK4 (1.00) | NPC1CLK4DYRK1ACYP1A2CYP3A4 | |
| SCHEMBL25220297 | 0.79 | CLK4 (0.68) | NPC1CLK4DYRK1ACYP1A2CYP3A4 | |
| SCHEMBL31230006 | 0.79 | CLK4 (0.68) | NPC1CLK4DYRK1ACYP1A2CYP3A4 | |
| SCHEMBL25260413 | 0.79 | CLK4 (0.68) | NPC1CLK4DYRK1ACYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115721-A1 | PYRIMIDONE DERIVATIVES | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018758-A1 | PYRIMIDONE DERIVATIVES | MITSUBISHI CHEMICAL CORPORATION (JP) | 2000-04-06 | — | — | WO | disclosed |