Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | PTPRC | P08575 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | S100A4 | P26447 | 1/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8065659 | 0.91 | HSPB1 (0.48) | HSPB1CES2PTPRCBCHEACHE | |
| SCHEMBL8065660 | 0.90 | CES2 (0.48) | HSPB1CES2PTPRCBCHEACHE | |
| SCHEMBL8065662 | 0.90 | CES2 (0.48) | HSPB1CES2PTPRCBCHEACHE | |
| SCHEMBL427368 | 0.80 | ALDH1A1 (0.55) | HSPB1CES2GPR35ALDH1A1TP53 | |
| SCHEMBL29821424 | 0.80 | ALDH1A1 (0.55) | HSPB1CES2GPR35ALDH1A1TP53 | |
| SCHEMBL10748570 | 0.80 | PTPRC (0.58) | CES2PTPRCBCHEACHECES1 | |
| SCHEMBL395708 | 0.79 | ALDH1A1 (0.54) | HSPB1PTPRCBCHEACHECES1 | |
| SCHEMBL5958796 | 0.78 | TDP1 (0.65) | PTPRCBCHEACHECES1S100A4 | |
| SCHEMBL619337 | 0.77 | GPR35 (0.55) | HSPB1CES2GPR35ALDH1A1TP53 | |
| SCHEMBL30459424 | 0.77 | GPR35 (0.55) | HSPB1CES2GPR35ALDH1A1TP53 |
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-2008147381-A1 | DETECTION OF PEROXIDE-BASED EXPLOSIVES USING CHEMILUMINESCENCE | REDXDEFENSE, LLC (US) | 2008-12-04 | — | — | WO | disclosed |