Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949948 | 1.00 | KDM4E (0.37) | KDM4EGAACYP2D6KMT2AALDH1A1 | |
| SCHEMBL6943645 | 0.89 | ALDH1A1 (0.40) | KDM4EGAACYP2D6ALDH1A1TDP1 | |
| SCHEMBL6947802 | 0.86 | POLB (0.40) | CYP2D6KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL124152 | 0.85 | — | — | |
| Diethylamine SCHEMBL8099606 | 0.83 | TP53 (0.35) | KDM4ECYP2D6KMT2AALDH1A1CYP3A4 | |
| Diethylamine SCHEMBL6948448 | 0.83 | TP53 (0.35) | KDM4ECYP2D6KMT2AALDH1A1CYP3A4 | |
| SCHEMBL6948499 | 0.83 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1 | |
| Dimethylamine SCHEMBL6945823 | 0.83 | CYP2D6 (0.36) | KDM4ECYP2D6KMT2AALDH1A1CYP3A4 | |
| Iodide SCHEMBL8818510 | 0.83 | CYP2D6 (0.39) | KDM4EGAACYP2D6KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL2171665 | 0.83 | LMNA (0.40) | KDM4EGAACYP2D6KMT2AALDH1A1 |
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 |