Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2309567 | 1.00 | KDM4E (0.68) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| Hydrochloric Acid SCHEMBL2315184 | 0.99 | KDM4E (0.67) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| SCHEMBL23207285 | 0.92 | ALDH1A1 (0.61) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| Hydrochloric Acid SCHEMBL2311784 | 0.90 | ALDH1A1 (0.59) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| Hydrochloric Acid SCHEMBL30152415 | 0.90 | ALDH1A1 (0.59) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| Hydrochloric Acid SCHEMBL2311786 | 0.90 | ALDH1A1 (0.59) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| Isophthalic Acid SCHEMBL27831288 | 0.88 | SIGMAR1 (0.60) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| SCHEMBL30332855 | 0.85 | KDM4E (0.64) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| SCHEMBL14708571 | 0.85 | KDM4E (0.68) | KDM4EALDH1A1GAALMNASIGMAR1 | |
| SCHEMBL27849825 | 0.85 | KDM4E (0.63) | KDM4EALDH1A1GAALMNASIGMAR1 |
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 |