Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 10/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | VEGFA | P15692 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7233581 | 0.84 | HTT (0.52) | HTTTSHRMAPK1TP53GAA | |
| SCHEMBL31115506 | 0.84 | PDE4A (0.52) | HTTPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19780858 | 0.83 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL19202429 | 0.79 | HTT (0.56) | HTTTSHRMAPK1TP53GAA | |
| SCHEMBL15239841 | 0.79 | KDM4E (0.53) | HTTTSHRMAPK1GAAKDM4E | |
| Acetic Acid Methyl Ester SCHEMBL28100313 | 0.79 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL18117753 | 0.78 | TSHR (0.69) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL1268717 | 0.78 | TSHR (0.69) | PDE4APDE4BPDE4CPDE4DTSHR | |
| Hydrochloric Acid SCHEMBL15240346 | 0.78 | KDM4E (0.51) | HTTTSHRMAPK1GAAKDM4E | |
| SCHEMBL13267179 | 0.77 | ALDH1A1 (0.55) | HTTTSHRGAAKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0604800-A1 | 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors | Dr. Karl Thomae GmbH (DE) | 1994-07-06 | — | — | EP | disclosed |