Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TYMP | P19971 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.37 |
| ▸ | DPYD | Q12882 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2494544 | 0.75 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL5801006 | 0.75 | KMT2A (0.43) | ALDH1A1DPYDMEN1KMT2ACA12 | |
| SCHEMBL5801051 | 0.75 | MEN1 (0.51) | ALDH1A1CYP1A2DPYDMEN1KMT2A | |
| SCHEMBL13404946 | 0.73 | MAPT (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL5797950 | 0.73 | MEN1 (0.55) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL5797995 | 0.68 | ALDH1A1 (0.39) | ALDH1A1DPYDMEN1KMT2A | |
| SCHEMBL28229390 | 0.68 | GPR84 (0.53) | ALDH1A1PARP1ADRA2AMEN1KMT2A | |
| SCHEMBL9669273 | 0.67 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL28575694 | 0.66 | GUSB (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL5800899 | 0.66 | DPYD (0.37) | ALDH1A1DPYDMEN1KMT2A |
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-2006070292-A2 | PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS | QUEEN'S UNIVERSITY AT KINGSTON (US) | 2006-07-06 | — | — | WO | disclosed |