Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | NAMPT | P43490 | 1/20 | 0.66 |
| ▸ | XDH | P47989 | 1/20 | 0.66 |
| ▸ | PARP1 | P09874 | 3/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.53 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.47 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.47 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.47 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PKLR | P30613 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1664417 | 1.00 | CYP3A4 (0.66) | CYP3A4NAMPTXDHPARP1DAO | |
| SCHEMBL2512086 | 0.87 | CYP3A4 (0.61) | CYP3A4NAMPTXDHPARP1DAO | |
| SCHEMBL30051508 | 0.80 | CYP3A4 (1.00) | CYP3A4NAMPTXDHPARP1GRIA1 | |
| SCHEMBL271341 | 0.80 | CYP3A4 (1.00) | CYP3A4NAMPTXDHPARP1GRIA1 | |
| SCHEMBL8425549 | 0.78 | CYP3A4 (0.96) | CYP3A4NAMPTXDHPARP1GRIA1 | |
| Nitric Acid SCHEMBL4907436 | 0.75 | CYP3A4 (0.90) | CYP3A4NAMPTXDHPARP1PKM | |
| SCHEMBL29923659 | 0.75 | CYP3A4 (0.77) | CYP3A4NAMPTXDHPARP1GRIA1 | |
| SCHEMBL271340 | 0.75 | CYP3A4 (0.77) | CYP3A4NAMPTXDHPARP1GRIA1 | |
| SCHEMBL31000787 | 0.74 | PARP1 (0.77) | CYP3A4NAMPTXDHPARP1DAO | |
| SCHEMBL1438865 | 0.74 | PARP1 (0.77) | CYP3A4NAMPTXDHPARP1DAO |
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-2022188735-A1 | HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS | GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) | 2022-09-15 | — | — | WO | disclosed |