Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 3/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30107672 | 0.89 | NPC1 (0.67) | NPC1RAB9APKMCYP11B2LMNA | |
| SCHEMBL28651978 | 0.89 | NPC1 (0.67) | NPC1RAB9APKMCYP11B2LMNA | |
| SCHEMBL28633815 | 0.84 | ALDH1A1 (0.72) | NPC1RAB9APKMCYP11B2LMNA | |
| SCHEMBL29874794 | 0.78 | NPC1 (1.00) | NPC1RAB9ABCAT2PKMCYP11B2 | |
| SCHEMBL4188221 | 0.78 | NPC1 (1.00) | NPC1RAB9ABCAT2PKMCYP11B2 | |
| SCHEMBL21473610 | 0.78 | NPC1 (0.69) | NPC1RAB9APKMCYP11B2PARP1 | |
| SCHEMBL28031462 | 0.78 | NPC1 (0.68) | NPC1RAB9APKMCYP11B2LMNA | |
| SCHEMBL30910320 | 0.78 | NPC1 (0.68) | NPC1RAB9APKMCYP11B2LMNA | |
| SCHEMBL28883282 | 0.78 | NPC1 (0.68) | NPC1RAB9APKMCYP11B2LMNA | |
| Acetic Acid SCHEMBL3681231 | 0.77 | NPC1 (0.83) | NPC1RAB9ABCAT2PKMCYP11B2 |
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-112778192-B | Polyfluoroalkyl-containing isoindolinone benzamide derivatives, and preparation method and application thereof | 浙江省化工研究院有限公司 | 2022-12-02 | — | — | CN | disclosed |