Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | TACR1 | P25103 | 2/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.54 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.54 |
| ▸ | CHKA | P35790 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4145765 | 1.00 | KDM4E (0.67) | KDM4EALDH1A1TACR1HIF1AEPAS1 | |
| SCHEMBL6407334 | 0.83 | CYP2D6 (0.54) | KDM4EALDH1A1TACR1HIF1A | |
| SCHEMBL21620787 | 0.82 | ALDH1A1 (0.96) | KDM4EALDH1A1HIF1AEPAS1CHKA | |
| SCHEMBL29586728 | 0.82 | KDM4E (0.89) | KDM4EALDH1A1HIF1AEPAS1CHKA | |
| SCHEMBL4698249 | 0.81 | KDM4E (0.70) | KDM4EALDH1A1TACR1SIGMAR1FAAH | |
| SCHEMBL2794745 | 0.80 | TACR1 (0.55) | KDM4EALDH1A1TACR1SIGMAR1DRD2 | |
| SCHEMBL13574523 | 0.80 | ALDH1A1 (1.00) | KDM4EALDH1A1HIF1AEPAS1CHKA | |
| SCHEMBL12625981 | 0.79 | ALDH1A1 (0.66) | ALDH1A1HTR2CHRH3TEAD1 | |
| SCHEMBL6942215 | 0.79 | KDM4E (0.61) | KDM4EALDH1A1HIF1AEPAS1CHKA | |
| SCHEMBL8113203 | 0.79 | KDM4E (0.61) | KDM4EALDH1A1HIF1AEPAS1CHKA |
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 |