Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8109964 | 1.00 | PNMT (0.43) | PNMTHRH3CHRM2CHRM4CHRM5 | |
| SCHEMBL6943349 | 1.00 | PNMT (0.43) | PNMTHRH3CHRM2CHRM4CHRM5 | |
| SCHEMBL6941412 | 1.00 | PNMT (0.43) | PNMTHRH3CHRM2CHRM4CHRM5 | |
| SCHEMBL120015 | 0.98 | PNMT (0.41) | PNMTHRH3CHRM2CHRM4CHRM5 | |
| SCHEMBL8114067 | 0.98 | PNMT (0.41) | PNMTHRH3CHRM2CHRM4CHRM5 | |
| SCHEMBL8110294 | 0.91 | HRH3 (0.41) | PNMTHRH3CHRM2CHRM4CHRM5 | |
| SCHEMBL119860 | 0.91 | HRH3 (0.41) | PNMTHRH3CHRM2CHRM4CHRM5 | |
| Iodide SCHEMBL7417352 | 0.89 | HRH3 (0.40) | PNMTHRH3CHRM2CHRM4CHRM5 | |
| SCHEMBL8016659 | 0.87 | HRH3 (0.45) | HRH3DRD2DRD3 | |
| SCHEMBL8109605 | 0.84 | PNMT (0.35) | PNMTHRH3CHRM2CHRM4CHRM5 |
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 |