Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.31 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.31 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.31 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.31 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29108991 | 0.81 | ALOX15 (0.57) | ALOX15DRD2GNAI3GNAO1GNAI1 | |
| SCHEMBL4550235 | 0.79 | KDM4E (0.43) | DRD2S1PR1S1PR3S1PR5SIGMAR1 | |
| SCHEMBL14968300 | 0.79 | ALDH1A1 (0.41) | DRD2S1PR1S1PR3S1PR5ALDH1A1 | |
| SCHEMBL22769422 | 0.77 | DRD2 (0.34) | DRD2S1PR1S1PR3S1PR5HRH2 | |
| SCHEMBL16106910 | 0.77 | S1PR1 (0.36) | DRD2S1PR1S1PR3S1PR5HRH2 | |
| SCHEMBL3293583 | 0.77 | DRD2 (0.34) | DRD2S1PR1S1PR3S1PR5HRH2 | |
| SCHEMBL16849120 | 0.76 | — | — | |
| SCHEMBL26391270 | 0.76 | ALOX15 (0.50) | ALOX15SIGMAR1ACE2KEAP1SMN1; SMN2 | |
| SCHEMBL3562371 | 0.75 | FFAR3 (0.48) | ALOX15DRD2GNAI3GNAO1GNAI1 | |
| SCHEMBL13656344 | 0.74 | KCNH2 (0.39) | DRD2S1PR1S1PR3S1PR5SIGMAR1 |
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-113195469-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-05-24 | — | — | CN | disclosed |