Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.64 |
| ▸ | PKM | P14618 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 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 |
| ▸ | ADRB1 | P08588 | 4/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7235786 | 0.83 | NPC1 (0.54) | NPC1RAB9APKMTP53CYP2D6 | |
| SCHEMBL4188221 | 0.79 | NPC1 (1.00) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL29874794 | 0.79 | NPC1 (1.00) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL31529590 | 0.77 | NPC1 (0.96) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL30910321 | 0.76 | NPC1 (0.74) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL17131794 | 0.76 | NPC1 (0.74) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL14542411 | 0.76 | NPC1 (0.74) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL28356711 | 0.76 | NPC1 (0.74) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL4150687 | 0.76 | NPC1 (0.74) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL29611011 | 0.76 | NPC1 (1.00) | NPC1RAB9APKMTP53SMN1; SMN2 |
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-112839937-B | Isoindolin-1-one derivatives, preparation method and application thereof | 韩国化学研究院 | 2023-08-22 | — | — | CN | disclosed |