Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | BACE1 | P56817 | 2/20 | 0.54 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948669 | 1.00 | KDM4E (0.66) | KDM4ESMN1; SMN2ALDH1A1TDP1BCHE | |
| SCHEMBL6947670 | 0.87 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1TDP1BCHE | |
| SCHEMBL8109203 | 0.87 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1TDP1BCHE | |
| SCHEMBL3149917 | 0.84 | CXCR3 (0.65) | CXCR3 | |
| SCHEMBL6944544 | 0.84 | ACHE (0.48) | KDM4ESMN1; SMN2ALDH1A1ACHEJAK2 | |
| SCHEMBL23775458 | 0.84 | OPRM1 (0.51) | KDM4ESMN1; SMN2ALDH1A1TDP1BCHE | |
| SCHEMBL20600701 | 0.84 | KDM4E (0.62) | KDM4ESMN1; SMN2ALDH1A1TDP1BCHE | |
| SCHEMBL13375732 | 0.81 | KDM4E (0.62) | KDM4ESMN1; SMN2ALDH1A1TDP1BCHE | |
| SCHEMBL3150259 | 0.81 | DPP4 (0.47) | KDM4ESMN1; SMN2ALDH1A1TDP1BCHE | |
| SCHEMBL16731628 | 0.81 | KDM4E (0.89) | KDM4ESMN1; SMN2ALDH1A1TDP1BCHE |
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 |