Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | BCHE | P06276 | 3/20 | 0.58 |
| ▸ | ACHE | P22303 | 3/20 | 0.58 |
| ▸ | BACE1 | P56817 | 3/20 | 0.58 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CHKA | P35790 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL6941820 | 1.00 | KDM4E (0.65) | KDM4EALDH1A1BCHEACHEBACE1 | |
| SCHEMBL28600653 | 0.90 | KDM4E (0.57) | KDM4EALDH1A1BCHEACHEBACE1 | |
| SCHEMBL2734780 | 0.90 | KDM4E (0.57) | KDM4EALDH1A1BCHEACHEBACE1 | |
| SCHEMBL15223361 | 0.84 | KDM4E (0.61) | KDM4EALDH1A1BCHEACHEBACE1 | |
| Isophthalic Acid SCHEMBL27788675 | 0.83 | SIGMAR1 (0.55) | BCHEACHEBACE1TEAD1SIGMAR1 | |
| SCHEMBL14242820 | 0.83 | HRH3 (0.67) | KDM4EALDH1A1BCHEACHEBACE1 | |
| SCHEMBL6945302 | 0.83 | CYP2D6 (0.52) | KDM4EALDH1A1SIGMAR1HIF1ACYP3A4 | |
| SCHEMBL9139565 | 0.83 | TEAD1 (0.53) | KDM4EALDH1A1ACHETEAD1SIGMAR1 | |
| SCHEMBL1035980 | 0.83 | ALDH1A1 (0.65) | KDM4EALDH1A1BCHEACHEBACE1 | |
| Ammonia Solution, Strong SCHEMBL28813879 | 0.82 | HRH3 (0.65) | KDM4EALDH1A1BCHEACHEBACE1 |
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 |