Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 2/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9656405 | 0.92 | ALDH1A1 (0.47) | ALDH1A1TDP1PTPN1ADRA2AADRA2B | |
| SCHEMBL26987104 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1PTPN1S100A4PTPRC | |
| SCHEMBL1287837 | 0.73 | ALDH1A1 (0.74) | ALDH1A1TDP1PTPN1S100A4PTPRC | |
| SCHEMBL30535903 | 0.73 | ALDH1A1 (0.74) | ALDH1A1TDP1PTPN1S100A4PTPRC | |
| SCHEMBL3435559 | 0.73 | ALDH1A1 (0.45) | ALDH1A1TDP1PTPN1S100A4PTPRC | |
| SCHEMBL30987815 | 0.71 | ALDH1A1 (0.71) | ALDH1A1TDP1PTPN1S100A4PTPRC | |
| SCHEMBL29337140 | 0.71 | ALDH1A1 (0.71) | ALDH1A1TDP1PTPN1S100A4PTPRC | |
| Ammonia Solution, Strong SCHEMBL9060371 | 0.71 | ALDH1A1 (0.71) | ALDH1A1TDP1PTPN1S100A4PTPRC | |
| SCHEMBL9655477 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TDP1PTPN1S100A4PTPRC | |
| SCHEMBL28995846 | 0.69 | NISCH (0.31) | F2C1R |
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 |