Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GLB1 | P16278 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | OGG1 | O15527 | 1/20 | 0.34 |
| ▸ | EBP | Q15125 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL6950205 | 1.00 | CHRNA7 (0.40) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Dimethylamine SCHEMBL6941904 | 0.95 | GNAI3 (0.41) | CHRNA7GNAI3GNAO1GNAI1S1PR1 | |
| SCHEMBL6942014 | 0.94 | CHRNA7 (0.44) | CHRNA7ALDH1A1CYP2D6GLB1SIGMAR1 | |
| SCHEMBL8108441 | 0.94 | CHRNA7 (0.44) | CHRNA7ALDH1A1CYP2D6GLB1SIGMAR1 | |
| Methylamine SCHEMBL7228187 | 0.91 | CHRNA7 (0.41) | CHRNA7ALDH1A1CYP2D6GLB1SIGMAR1 | |
| Diethylamine SCHEMBL6941485 | 0.90 | CHRNA7 (0.38) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Dimethylamine SCHEMBL6948503 | 0.89 | ALDH1A1 (0.43) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6939508 | 0.88 | CHRNA7 (0.37) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6941816 | 0.88 | CHRNA7 (0.37) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8099579 | 0.88 | CHRNA7 (0.37) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |