Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 13/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27996815 | 0.80 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4108152 | 0.77 | BRD4 (0.45) | SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2 | |
| SCHEMBL11960063 | 0.77 | BRD4 (0.45) | SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2 | |
| SCHEMBL12469122 | 0.76 | KEAP1 (0.42) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL30366658 | 0.74 | ACP3 (0.42) | SLC6A2SLC6A4 | |
| SCHEMBL28681045 | 0.74 | ACP3 (0.42) | SLC6A2SLC6A4 | |
| SCHEMBL1280508 | 0.74 | SLC6A3 (0.46) | SLC6A2SLC6A4SLC6A3ALDH1A1LMNA | |
| SCHEMBL1154655 | 0.74 | ALDH1A1 (0.49) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8751350 | 0.74 | AHR (0.46) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL27639167 | 0.74 | HPGD (0.41) | CYP2D6ALDH1A1LMNAHTTSMN1; 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-110240579-B | Polysubstituted gamma-butyrolactone compound, preparation method and application thereof | 中国科学院成都有机化学有限公司 | 2023-03-31 | — | — | CN | disclosed |