Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | TET2 | Q6N021 | 5/20 | 0.44 |
| ▸ | TET3 | O43151 | 1/20 | 0.44 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Itaconate SCHEMBL28065371 | 0.91 | ALOX15 (0.56) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL5875304 | 0.91 | ALOX15 (0.56) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL29527662 | 0.89 | ALOX15 (0.54) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL5072252 | 0.89 | ALOX15 (0.54) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL5394440 | 0.89 | ALOX15 (0.54) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL5874899 | 0.89 | ALOX15 (0.54) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL5874230 | 0.89 | ALOX15 (0.54) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL5447650 | 0.87 | ALOX15 (0.68) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL20506726 | 0.87 | ALOX15 (0.52) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL21523 | 0.87 | — | — |
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-107963731-B | Preparation method of scale and corrosion inhibition ball | 河北省科学院能源研究所 | 2020-01-21 | — | — | CN | disclosed |