Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL95501 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRERN1GRIA1GRIA2 | |
| SCHEMBL29437223 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRERN1GRIA1GRIA2 | |
| SCHEMBL8434668 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TSHRERN1GRIA1GRIA2 | |
| M-Xylene SCHEMBL7774600 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TSHRERN1GRIA1GRIA2 | |
| SCHEMBL30828533 | 0.71 | — | — | |
| SCHEMBL2884919 | 0.70 | GRIA1 (0.56) | ALDH1A1TSHRERN1GRIA1GRIA2 | |
| SCHEMBL268706 | 0.70 | ALDH1A1 (0.52) | ALDH1A1TSHRERN1GRIA1GRIA2 | |
| P-Xylene SCHEMBL7770805 | 0.68 | ALDH1A1 (0.50) | ALDH1A1TSHRERN1GRIA1GRIA2 | |
| SCHEMBL28109967 | 0.68 | ALDH1A1 (0.50) | ALDH1A1TSHRERN1GRIA1GRIA2 | |
| SCHEMBL18128766 | 0.68 | GRIA1 (0.54) | ALDH1A1TSHRERN1GRIA1GRIA2 |
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-113651663-B | Preparation method of deuterated aromatic carbonyl compound | 浙大宁波理工学院 | 2024-03-29 | — | — | CN | disclosed |