Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TAS2R38 | P59533 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PHGDH | O43175 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 4/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3071122 | 0.83 | HSD17B10 (0.64) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL3069527 | 0.77 | ALDH1A1 (0.64) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL28879889 | 0.77 | HSD17B10 (0.56) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL28879900 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL29875498 | 0.77 | HSD17B10 (0.56) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL7362194 | 0.77 | HSD17B10 (0.58) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL28367376 | 0.77 | HSD17B10 (0.56) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL3651334 | 0.77 | TAS2R38 (0.58) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL10916130 | 0.77 | CYP1A2 (0.61) | ALDH1A1HSD17B10CYP3A4KMT2AGAA | |
| SCHEMBL9353063 | 0.76 | EPHX2 (0.59) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |