Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.67 |
| ▸ | RAB9A | P51151 | 6/20 | 0.67 |
| ▸ | PKM | P14618 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12559547 | 0.84 | NPC1 (0.51) | NPC1RAB9APKMGAACYP11B2 | |
| SCHEMBL14259445 | 0.82 | NPC1 (0.67) | NPC1RAB9APKMSMN1; SMN2GAA | |
| SCHEMBL10085846 | 0.82 | NPC1 (0.56) | NPC1RAB9APKMSMN1; SMN2GAA | |
| SCHEMBL4250783 | 0.82 | NPC1 (0.56) | NPC1RAB9APKMSMN1; SMN2GAA | |
| SCHEMBL3051492 | 0.81 | NPC1 (0.65) | NPC1RAB9APKMSMN1; SMN2GAA | |
| SCHEMBL28625588 | 0.81 | NPC1 (0.65) | NPC1RAB9APKMSMN1; SMN2GAA | |
| SCHEMBL29611011 | 0.80 | NPC1 (1.00) | NPC1RAB9APKMSMN1; SMN2GAA | |
| SCHEMBL5579208 | 0.80 | NPC1 (1.00) | NPC1RAB9APKMSMN1; SMN2GAA | |
| SCHEMBL10085484 | 0.80 | NPC1 (0.71) | NPC1RAB9APKMSMN1; SMN2GAA | |
| SCHEMBL21473610 | 0.79 | NPC1 (0.69) | NPC1RAB9APKMSMN1; SMN2GAA |
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 3 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 |
| EP-2915804-A1 | NOVEL AMINE DERIVATIVE OR SALT THEREOF | Toyama Chemical Co., Ltd. (JP) | 2015-09-09 | — | — | EP | disclosed |