Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.76 |
| ▸ | DRD3 | P35462 | 4/20 | 0.76 |
| ▸ | HTR1A | P08908 | 3/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.61 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL10414460 | 0.86 | DRD2 (1.00) | DRD2DRD3HTR1ACYP3A4ADRA1A | |
| SCHEMBL8577935 | 0.85 | DRD2 (0.72) | DRD2DRD3HTR1AADRA1AADRA1D | |
| SCHEMBL13875119 | 0.85 | HTR1A (1.00) | DRD2DRD3HTR1ACYP3A4ADRA1A | |
| SCHEMBL6526368 | 0.85 | DRD2 (0.85) | DRD2DRD3HTR1ACYP3A4ADRA1A | |
| SCHEMBL16281735 | 0.84 | HTR1A (0.97) | DRD2DRD3HTR1ACYP3A4ADRA1A | |
| SCHEMBL16281719 | 0.84 | HTR1A (0.97) | DRD2DRD3HTR1ACYP3A4ADRA1A | |
| SCHEMBL16281718 | 0.84 | HTR1A (0.97) | DRD2DRD3HTR1ACYP3A4ADRA1A | |
| SCHEMBL9567518 | 0.84 | DRD2 (0.66) | DRD2DRD3HTR1AADRA1AADRA1D | |
| SCHEMBL31060769 | 0.83 | DRD2 (1.00) | DRD2DRD3HTR1AADRA1AADRA1D | |
| SCHEMBL3261221 | 0.83 | DRD2 (1.00) | DRD2DRD3HTR1AADRA1AADRA1D |
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-110511215-B | Aryl piperazine/piperidine compound and application thereof | 复旦大学 | 2023-03-28 | — | — | CN | disclosed |