Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.55 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.41 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL27656757 | 0.88 | LPAR3 (0.41) | ALDH1A1ALOX15TSHRSMN1; SMN2HSD17B10 | |
| Tetrabuthylammonium SCHEMBL16426824 | 0.85 | SLC22A1 (0.67) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL8836745 | 0.83 | SLC22A1 (0.50) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL28513085 | 0.81 | SLC22A1 (0.60) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| 1-Pentanol SCHEMBL10796811 | 0.79 | SMN1; SMN2 (0.57) | ALDH1A1TSHRSMN1; SMN2HSD17B10LPAR1 | |
| Nonanol SCHEMBL10859534 | 0.77 | LMNA (0.59) | ALDH1A1TSHRSMN1; SMN2HSD17B10LPAR1 | |
| Undecanol SCHEMBL10862337 | 0.77 | LMNA (0.59) | ALDH1A1TSHRSMN1; SMN2HSD17B10LPAR1 | |
| Cetostearyl Alcohol SCHEMBL10857345 | 0.77 | LMNA (0.59) | ALDH1A1TSHRSMN1; SMN2HSD17B10LPAR1 | |
| 1-Heptanol SCHEMBL10859260 | 0.77 | LMNA (0.59) | ALDH1A1TSHRSMN1; SMN2HSD17B10LPAR1 | |
| Tridecan-1-Ol SCHEMBL10863058 | 0.77 | LMNA (0.59) | ALDH1A1TSHRSMN1; SMN2HSD17B10LPAR1 |
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-109206464-A | A kind of adenosine diphosphate core saccharide compound and preparation method thereof and bioactivity | 北京大学 | 2019-01-15 | — | — | CN | disclosed |