Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | GUSB | P08236 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2201792 | 0.81 | APP (0.48) | ALDH1A1HPGDTDP1PTPRCMAPT | |
| SCHEMBL198911 | 0.75 | ALDH1A1 (0.60) | ALDH1A1HPGDTDP1PTPRCMAPT | |
| SCHEMBL447310 | 0.72 | ALDH1A1 (0.44) | ALDH1A1HPGDTDP1PTPRCMAPT | |
| SCHEMBL4764102 | 0.71 | ALDH1A1 (0.43) | ALDH1A1HPGDTDP1PTPRCMAPT | |
| SCHEMBL153969 | 0.69 | ADRA1D (0.52) | ALDH1A1HPGDTDP1PTPRCMAPT | |
| SCHEMBL17626197 | 0.69 | PTPRC (0.43) | ALDH1A1HPGDTDP1PTPRCMAPT | |
| SCHEMBL4765574 | 0.69 | PDE5A (0.46) | ALDH1A1HPGDTDP1PTPRCMAPT | |
| SCHEMBL203121 | 0.69 | ADRB2 (0.61) | ALDH1A1HPGDTDP1PTPRCMAPT | |
| 1,2-Diethoxybenzene SCHEMBL29428929 | 0.69 | ALDH1A1 (0.68) | ALDH1A1HPGDTDP1MAPTKDM4E | |
| 1,2-Diethoxybenzene SCHEMBL578986 | 0.69 | ALDH1A1 (0.68) | ALDH1A1HPGDTDP1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9688653-B2 | Ethoxyphenyl thienyl compounds and methods for the treatment of bacterial infections | DUKE UNIVERSITY (US) | 2017-06-27 | — | — | US | disclosed |