Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 4/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.57 |
| ▸ | HTR2B | P41595 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31495 | 0.88 | ABCB11 (0.60) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL4538268 | 0.88 | ABCB11 (0.60) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL4564635 | 0.82 | ABCB11 (0.60) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL4564637 | 0.82 | ABCB11 (0.60) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL10952840 | 0.81 | DRD1 (0.64) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL12604040 | 0.81 | DRD1 (0.64) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL16706904 | 0.81 | DRD1 (0.64) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL2721278 | 0.79 | ABCB11 (0.58) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL19148650 | 0.78 | ABCB11 (0.77) | DRD1ABCB11CYP2C19OPRM1OPRK1 | |
| SCHEMBL889300 | 0.78 | ABCB11 (0.57) | DRD1ABCB11CYP2C19OPRM1OPRK1 |
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-116535418-A | Synthesis method and application of chiral N- (1-substituted-allyl) amine | 西安交通大学 | 2023-08-04 | — | — | CN | disclosed |