Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.48 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.48 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942281 | 1.00 | KEAP1 (0.52) | KEAP1SMN1; SMN2GNAI3GNAO1GNAI1 | |
| SCHEMBL23273615 | 0.88 | KEAP1 (0.40) | KEAP1SMN1; SMN2GNAI3GNAO1GNAI1 | |
| SCHEMBL7485372 | 0.86 | KEAP1 (0.59) | KEAP1SMN1; SMN2GNAI3GNAO1GNAI1 | |
| SCHEMBL18933322 | 0.81 | GNAI3 (0.42) | KEAP1SMN1; SMN2GNAI3GNAO1GNAI1 | |
| SCHEMBL6946272 | 0.80 | GNAI3 (0.52) | GNAI3GNAO1GNAI1ALDH1A1CYP1A2 | |
| Cyclooctanamine SCHEMBL7481924 | 0.80 | KEAP1 (0.52) | KEAP1SMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL235080 | 0.79 | KDM4E (0.65) | KEAP1SMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL27838638 | 0.78 | ALDH1A1 (0.43) | KEAP1SMN1; SMN2ALDH1A1GLA | |
| SCHEMBL2761704 | 0.78 | GNAI3 (0.50) | GNAI3GNAO1GNAI1ALDH1A1CYP1A2 | |
| SCHEMBL2761795 | 0.78 | GNAI3 (0.50) | GNAI3GNAO1GNAI1ALDH1A1CYP1A2 |
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 |