Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL6947764 | 1.00 | HRH3 (0.44) | HRH3MAPK1CHRM2KCNH2ALDH1A1 | |
| SCHEMBL6943462 | 0.95 | HRH3 (0.40) | HRH3ALDH1A1KDM4EMAPTTAAR1 | |
| SCHEMBL8108595 | 0.95 | HRH3 (0.40) | HRH3ALDH1A1KDM4EMAPTTAAR1 | |
| SCHEMBL6947704 | 0.93 | HRH3 (0.40) | HRH3ALDH1A1 | |
| SCHEMBL8109188 | 0.93 | HRH3 (0.40) | HRH3ALDH1A1 | |
| SCHEMBL8108225 | 0.93 | HRH3 (0.40) | HRH3ALDH1A1 | |
| SCHEMBL6944340 | 0.93 | HRH3 (0.40) | HRH3ALDH1A1 | |
| SCHEMBL6939705 | 0.93 | HRH3 (0.48) | HRH3MAPK1CHRM2KCNH2ALDH1A1 | |
| SCHEMBL8114385 | 0.88 | HRH3 (0.43) | HRH3MAPK1CHRM2KCNH2ALDH1A1 | |
| SCHEMBL6944055 | 0.88 | HRH3 (0.43) | HRH3MAPK1CHRM2KCNH2ALDH1A1 |
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 |