Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 3/20 | 0.40 |
| ▸ | FEN1 | P39748 | 3/20 | 0.40 |
| ▸ | IL1B | P01584 | 3/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.36 |
| ▸ | PDE6D | O43924 | 2/20 | 0.36 |
| ▸ | PDE6A | P16499 | 2/20 | 0.36 |
| ▸ | PDE6G | P18545 | 2/20 | 0.36 |
| ▸ | PDE6B | P35913 | 2/20 | 0.36 |
| ▸ | PDE6C | P51160 | 2/20 | 0.36 |
| ▸ | PDE6H | Q13956 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 3/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26093443 | 0.83 | ALOX5AP (0.36) | ALOX5APFEN1IL1BTNFNLRP3 | |
| SCHEMBL24695709 | 0.81 | IL1B (0.51) | IL1BTNFNLRP3 | |
| SCHEMBL31624816 | 0.73 | PDE2A (0.34) | ALOX5APFEN1IL1BPDE2APDE10A | |
| SCHEMBL31624801 | 0.73 | PDE2A (0.35) | ALOX5APFEN1IL1BPDE2APDE10A | |
| SCHEMBL31553142 | 0.70 | PIK3CD (0.35) | PDE2APDE10APDE6DPDE6APDE6G | |
| SCHEMBL30951395 | 0.69 | AGPAT2 (0.35) | IL1BPDE2APDE10APDE6DPDE6A | |
| SCHEMBL30375350 | 0.68 | IL1B (0.35) | IL1BTNFNLRP3 | |
| SCHEMBL26093672 | 0.68 | IL1B (0.35) | IL1BTNFNLRP3 | |
| SCHEMBL30374854 | 0.67 | SMN1; SMN2 (0.39) | ALOX5APFEN1CYP1A2DHFRCRHR1 | |
| SCHEMBL26089911 | 0.67 | SMN1; SMN2 (0.39) | ALOX5APFEN1CYP1A2DHFRCRHR1 |
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-2022253936-A1 | TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER. | F. HOFFMANN-LA ROCHE AG (CH) | 2022-12-08 | — | — | WO | disclosed |