Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.73 |
| ▸ | RAB9A | P51151 | 5/20 | 0.73 |
| ▸ | PKM | P14618 | 3/20 | 0.73 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.52 |
| ▸ | RELA | Q04206 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21473610 | 0.87 | NPC1 (0.69) | NPC1RAB9APKMCYP11B2KMT2A | |
| SCHEMBL29611011 | 0.85 | NPC1 (1.00) | NPC1RAB9APKMCYP11B2KMT2A | |
| SCHEMBL5579208 | 0.85 | NPC1 (1.00) | NPC1RAB9APKMCYP11B2KMT2A | |
| SCHEMBL10085509 | 0.81 | NPC1 (0.69) | NPC1RAB9APKMCYP11B2KMT2A | |
| SCHEMBL4188221 | 0.80 | NPC1 (1.00) | NPC1RAB9APKMCYP11B2KMT2A | |
| SCHEMBL29874794 | 0.80 | NPC1 (1.00) | NPC1RAB9APKMCYP11B2KMT2A | |
| Hydrochloric Acid SCHEMBL31529590 | 0.79 | NPC1 (0.96) | NPC1RAB9APKMCYP11B2KMT2A | |
| SCHEMBL8144026 | 0.77 | NPC1 (0.64) | NPC1RAB9APKMCYP11B2KMT2A | |
| Acetic Acid SCHEMBL3681231 | 0.77 | NPC1 (0.83) | NPC1RAB9APKMCYP11B2KMT2A | |
| SCHEMBL1467615 | 0.76 | UGCG (0.46) | NPC1RAB9APKMKMT2AMEN1 |
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-113403635-B | Method for preparing N-substituted pyrrolidone derivative | 五邑大学 | 2022-05-03 | — | — | CN | disclosed |
| CN-113403635-A | Method for preparing N-substituted pyrrolidone derivative | 五邑大学 | 2021-09-17 | — | — | CN | disclosed |