Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11617748 | 0.82 | TAAR1 (0.52) | MAPTALDH1A1GAATAAR1CA2 | |
| SCHEMBL28460945 | 0.79 | ALDH1A1 (0.39) | MAPTALDH1A1GAATAAR1CA2 | |
| SCHEMBL28879805 | 0.78 | TAAR1 (0.48) | MAPTALDH1A1TAAR1GABRA1GABRB2 | |
| SCHEMBL9016954 | 0.76 | GABRA1 (0.48) | ALDH1A1GAATAAR1IDO1GABRA1 | |
| SCHEMBL24719927 | 0.75 | ALDH1A1 (0.56) | MAPTALDH1A1GAAIDO1CYP3A4 | |
| SCHEMBL28879904 | 0.75 | IDO1 (0.42) | MAPTALDH1A1GAATAAR1CA2 | |
| SCHEMBL28958233 | 0.75 | TAAR1 (0.48) | TAAR1IDO1GABRA1GABRB2 | |
| SCHEMBL29562705 | 0.72 | GABRA1 (0.44) | ALDH1A1GAATAAR1IDO1GABRA1 | |
| SCHEMBL305224 | 0.72 | GABRA1 (0.44) | ALDH1A1GAATAAR1IDO1GABRA1 | |
| SCHEMBL608328 | 0.70 | GABRA1 (0.42) | MAPTALDH1A1GAATAAR1IDO1 |
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 |