Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
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 SCHEMBL6948646 | 1.00 | ALDH1A1 (0.42) | ALDH1A1THRBHPGDL3MBTL1DRD2 | |
| Dimethylamine SCHEMBL6950264 | 0.94 | GNAI3 (0.44) | GNAI3GNAO1GNAI1S1PR1S1PR3 | |
| SCHEMBL8108347 | 0.94 | ALDH1A1 (0.45) | ALDH1A1THRBHPGDL3MBTL1DRD2 | |
| SCHEMBL3728839 | 0.94 | ALDH1A1 (0.45) | ALDH1A1THRBHPGDL3MBTL1DRD2 | |
| Hydrochloric Acid SCHEMBL3738666 | 0.92 | ALDH1A1 (0.44) | ALDH1A1THRBHPGDL3MBTL1DRD2 | |
| Bromide SCHEMBL3726981 | 0.92 | ALDH1A1 (0.44) | ALDH1A1THRBHPGDL3MBTL1DRD2 | |
| Diethylamine SCHEMBL6944033 | 0.89 | ALDH1A1 (0.40) | ALDH1A1THRBHPGDL3MBTL1DRD2 | |
| SCHEMBL2412116 | 0.88 | GNAI3 (0.48) | GNAI3GNAO1GNAI1S1PR1S1PR3 | |
| Dimethylamine SCHEMBL6946290 | 0.88 | POLB (0.42) | ALDH1A1THRBL3MBTL1DRD2SIGMAR1 | |
| SCHEMBL6947718 | 0.87 | ALDH1A1 (0.39) | ALDH1A1THRBHPGDL3MBTL1DRD2 |
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 |