Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.34 |
| ▸ | DRD3 | P35462 | 7/20 | 0.34 |
| ▸ | DRD4 | P21917 | 5/20 | 0.34 |
| ▸ | HTR1D | P28221 | 2/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 3/20 | 0.31 |
| ▸ | DRD5 | P21918 | 3/20 | 0.31 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22568962 | 0.83 | DRD2 (0.38) | DRD2DRD3DRD4HTR1DHTR5A | |
| SCHEMBL29398439 | 0.82 | DRD2 (0.41) | DRD2DRD3DRD4HTR1DHTR5A | |
| SCHEMBL22557831 | 0.82 | DRD2 (0.41) | DRD2DRD3DRD4HTR1DHTR5A | |
| SCHEMBL225622 | 0.77 | GPR84 (0.35) | DRD2DRD3HTR1D | |
| SCHEMBL30152331 | 0.77 | GPR84 (0.35) | DRD2DRD3HTR1D | |
| SCHEMBL22557845 | 0.75 | DRD2 (0.39) | DRD2DRD3DRD4HTR1DHTR5A | |
| SCHEMBL19230505 | 0.72 | SRD5A1 (0.33) | DRD2DRD3HTR1DABHD6 | |
| SCHEMBL29399362 | 0.69 | DRD2 (0.43) | DRD2DRD3DRD4HTR1DHTR5A | |
| SCHEMBL22569050 | 0.69 | DRD2 (0.43) | DRD2DRD3DRD4HTR1DHTR5A | |
| SCHEMBL4306683 | 0.69 | MAOA (0.38) | DRD2DRD3DRD4HTR1DDRD1 |
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-111630043-B | Compound containing ring, preparation method and application thereof in medicine | 四川科伦博泰生物医药股份有限公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-111630043-A | Compound containing ring, preparation method and application thereof in medicine | 四川科伦博泰生物医药股份有限公司 | 2020-09-04 | — | — | CN | disclosed |
| WO-2019179369-A1 | RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-09-26 | — | — | WO | disclosed |