Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPRB | P23467 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5380792 | 0.95 | GAA (0.43) | GAAMGAMSIMGAM2PKM | |
| SCHEMBL5384648 | 0.88 | GAA (0.41) | GAAMGAMSIMGAM2PKM | |
| Triethyl Citrate SCHEMBL21518137 | 0.88 | GAA (0.43) | GAAMGAMSIMGAM2PKM | |
| SCHEMBL5384659 | 0.88 | GAA (0.43) | GAAMGAMSIMGAM2PKM | |
| SCHEMBL25237747 | 0.87 | GAA (0.41) | GAAMGAMSIMGAM2PKM | |
| Triethyl Citrate SCHEMBL28185576 | 0.87 | GAA (0.44) | GAAMGAMSIMGAM2PKM | |
| Triethyl Citrate SCHEMBL901127 | 0.87 | GAA (0.48) | GAAMGAMSIMGAM2PKM | |
| Triethyl Citrate SCHEMBL23465 | 0.87 | GAA (0.48) | GAAMGAMSIMGAM2PKM | |
| Triethyl Citrate SCHEMBL29035980 | 0.85 | GAA (0.46) | GAAMGAMSIMGAM2PKM | |
| Triethyl Citrate SCHEMBL6236671 | 0.85 | GAA (0.46) | GAAMGAMSIMGAM2PKM |
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-7166654-B2 | Ester compound, plasticizer for biodegradable aliphatic polyester resin, and biodegradable resin composition | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-01-23 | — | — | US | claimed |