Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP1 | O94782 | 2/20 | 0.43 |
| ▸ | WDR48 | Q8TAF3 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13732093 | 0.78 | SMN1; SMN2 (0.51) | TSHRALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL13824309 | 0.77 | CNR2 (0.40) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL805589 | 0.74 | HSD11B1 (0.51) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL805590 | 0.74 | HSD11B1 (0.51) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL31138735 | 0.74 | TRPA1 (0.39) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL31138561 | 0.74 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL23911666 | 0.74 | AKR1B1 (0.46) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL5215493 | 0.74 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL7011881 | 0.72 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL29904766 | 0.72 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 |
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-2012151567-A1 | PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2012-11-08 | — | — | WO | disclosed |