Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
| ▸ | ROS1 | P08922 | 1/20 | 0.30 |
| ▸ | MARK3 | P27448 | 1/20 | 0.30 |
| ▸ | LTK | P29376 | 1/20 | 0.30 |
| ▸ | FLT4 | P35916 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28995727 | 0.78 | RYR2 (0.38) | HTR2AHTR2CHTR2B | |
| SCHEMBL28995683 | 0.71 | PARP10 (0.37) | PARP10PARP1PARP11HTR2AHTR2C | |
| SCHEMBL28453298 | 0.70 | S100A4 (0.57) | S100A4PTPRCHSP90AA1TLR9TGM2 | |
| SCHEMBL28731693 | 0.68 | S100A4 (0.41) | PARP10PARP1S100A4PARP11HTR2C | |
| SCHEMBL3404589 | 0.65 | S100A4 (0.46) | PARP10PARP1S100A4PARP11PTPRC | |
| SCHEMBL15037628 | 0.63 | PARP1 (0.39) | PARP10PARP1HTR2A | |
| SCHEMBL29380433 | 0.62 | S100A4 (0.54) | S100A4PTPRCHSP90AA1TLR9TGM2 | |
| SCHEMBL28542905 | 0.62 | S100A4 (0.48) | S100A4PTPRCHSP90AA1TLR9 | |
| SCHEMBL5769479 | 0.62 | CYP2A6 (0.40) | PARP1 | |
| SCHEMBL29145893 | 0.60 | PTPRC (0.56) | S100A4PTPRCHSP90AA1TLR9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116057047-A | Synthesis of heterocyclic compounds from carboxamides and carboxamide derivatives and haloalkanols | 夸祖鲁-纳塔尔大学 | 2023-05-02 | — | — | CN | disclosed |