Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.62 |
| ▸ | PKM | P14618 | 3/20 | 0.62 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 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 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10085912 | 0.92 | NPC1 (0.66) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL10114090 | 0.85 | NPC1 (0.69) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL1468037 | 0.83 | ALDH1A1 (0.42) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL1468412 | 0.83 | NPC1 (0.42) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL1468602 | 0.83 | RAB9A (0.60) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL10085784 | 0.82 | NPC1 (0.64) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL1467580 | 0.82 | NPC1 (0.54) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL8330483 | 0.81 | RAB9A (0.60) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL28356779 | 0.80 | NPC1 (0.68) | NPC1RAB9APKMHTR1AADRA1A | |
| SCHEMBL28750163 | 0.80 | HTR1A (0.52) | NPC1RAB9APKMHTR1AADRA1A |
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 |