Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 4/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RGS12 | O14924 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | BRCA1 | P38398 | 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 | |
|---|---|---|---|---|
| SCHEMBL10441891 | 0.70 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL29378366 | 0.68 | TOP1 (0.55) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL9768590 | 0.68 | KDM4E (0.51) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL384815 | 0.68 | TOP1 (0.55) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL4751174 | 0.68 | EPHX2 (0.41) | GPR84KDM4EALDH1A1HPGDGAA | |
| SCHEMBL262473 | 0.68 | GSK3B (0.50) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL28099802 | 0.68 | GSK3B (0.50) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL1027363 | 0.66 | KDM4E (0.43) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| Hydrochloric Acid SCHEMBL15251326 | 0.66 | SLC6A2 (0.46) | GSK3B | |
| SCHEMBL30830712 | 0.65 | HRH1 (0.55) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008135041-A1 | ADAMANTYLOXYAMINE DERIVATIVES AND RELATED COMPOUNDS FOR USE AS NMDA AND/OR DPP-4 MODULATORS FOR THE THERAPY OF CNS DISEASES AND DIABETES | SCHEBO BIOTECH AG (DE) | 2008-11-13 | — | — | WO | disclosed |