Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.65 |
| ▸ | RAB9A | P51151 | 4/20 | 0.65 |
| ▸ | PKM | P14618 | 3/20 | 0.62 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10085509 | 0.79 | NPC1 (0.69) | NPC1RAB9APKMCYP11B2TP53 | |
| SCHEMBL4188221 | 0.79 | NPC1 (1.00) | NPC1RAB9APKMCYP11B2TP53 | |
| SCHEMBL29874794 | 0.79 | NPC1 (1.00) | NPC1RAB9APKMCYP11B2TP53 | |
| SCHEMBL13113370 | 0.79 | NPC1 (0.56) | NPC1RAB9APKMCYP11B2TP53 | |
| SCHEMBL13113353 | 0.79 | NPC1 (0.56) | NPC1RAB9APKMCYP11B2TP53 | |
| SCHEMBL13113238 | 0.78 | NPC1 (0.61) | NPC1RAB9APKMCYP11B2TP53 | |
| Hydrochloric Acid SCHEMBL31529590 | 0.78 | NPC1 (0.96) | NPC1RAB9APKMCYP11B2TP53 | |
| SCHEMBL29128053 | 0.77 | NPC1 (0.74) | NPC1RAB9APKMCYP11B2TP53 | |
| SCHEMBL30666441 | 0.77 | NPC1 (0.74) | NPC1RAB9APKMCYP11B2TP53 | |
| SCHEMBL4150687 | 0.77 | NPC1 (0.74) | NPC1RAB9APKMCYP11B2TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507177-B | Method for preparing functionalized 2- (3-oxo-isoindoline-1-subunit) methyl acetate from carbon dioxide | 常州大学 | 2023-11-21 | — | — | CN | disclosed |
| CN-114507177-A | Method for preparing functionalized 2- (3-oxoisoindoline-1-subunit) methyl acetate from carbon dioxide | 常州大学 | 2022-05-17 | — | — | CN | disclosed |