Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949658 | 1.00 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1KDM4ECHRNA7TSHR | |
| SCHEMBL6945472 | 0.98 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1KDM4ECHRNA7TSHR | |
| SCHEMBL8108981 | 0.98 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1KDM4ECHRNA7TSHR | |
| SCHEMBL8108811 | 0.98 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1KDM4ECHRNA7TSHR | |
| SCHEMBL6941496 | 0.98 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1KDM4ECHRNA7TSHR | |
| SCHEMBL8099456 | 0.95 | CHRNA7 (0.38) | ALDH1A1L3MBTL1KDM4ECHRNA7HRH1 | |
| SCHEMBL6941785 | 0.95 | CHRNA7 (0.38) | ALDH1A1L3MBTL1KDM4ECHRNA7HRH1 | |
| SCHEMBL6948599 | 0.89 | CHRNA7 (0.36) | ALDH1A1L3MBTL1KDM4ECHRNA7TSHR | |
| SCHEMBL6942975 | 0.89 | HRH3 (0.38) | ALDH1A1KDM4ECHRNA7TSHRHRH3 | |
| SCHEMBL8109005 | 0.89 | CHRNA7 (0.36) | ALDH1A1L3MBTL1KDM4ECHRNA7TSHR |
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 |