Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.48 |
| ▸ | NOS2 | P35228 | 3/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.44 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 3/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL24736329 | 1.00 | NOS3 (0.48) | NOS3NOS2XIAPBIRC2ASIC3 | |
| SCHEMBL4326351 | 1.00 | NOS3 (0.48) | NOS3NOS2XIAPBIRC2ASIC3 | |
| SCHEMBL522063 | 0.85 | CYP1A2 (0.38) | IRAK4CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL179264 | 0.84 | NOS2 (0.50) | NOS3NOS2XIAPBIRC2ASIC3 | |
| SCHEMBL4384529 | 0.80 | NOS3 (0.46) | NOS3NOS2XIAPBIRC2ASIC3 | |
| SCHEMBL30670465 | 0.80 | NOS3 (0.46) | NOS3NOS2XIAPBIRC2ASIC3 | |
| SCHEMBL22521536 | 0.80 | NOS2 (0.46) | NOS3NOS2XIAPBIRC2ASIC3 | |
| SCHEMBL18793683 | 0.77 | NOS3 (0.48) | NOS3NOS2IRAK4 | |
| SCHEMBL25170530 | 0.77 | NOS3 (0.48) | NOS3NOS2IRAK4 | |
| SCHEMBL29793597 | 0.77 | NOS3 (0.48) | NOS3NOS2IRAK4 |
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-2022258057-A1 | COMPOUNDS AS ANTICANCER AGENTS | JINGRUI BIOPHARMA CO., LTD. (CN) | 2022-12-15 | — | — | WO | disclosed |