Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.50 |
| ▸ | USP2 | O75604 | 7/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.50 |
| ▸ | LMNA | P02545 | 6/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 7/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ACP1 | P24666 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8486645 | 0.95 | CYP1A2 (0.48) | CYP1A2CYP3A4USP2CLK4CYP2C19 | |
| SCHEMBL8767610 | 0.94 | CYP1A2 (0.47) | CYP1A2CYP3A4USP2CLK4CYP2C19 | |
| SCHEMBL17652208 | 0.79 | IRAK4 (0.68) | CYP1A2CYP3A4USP2CLK4CYP2C19 | |
| SCHEMBL27504590 | 0.79 | PDE5A (0.58) | HSD17B10MAP4K4KDM4EACP1 | |
| SCHEMBL31151143 | 0.77 | DRD2 (0.57) | CYP1A2CYP3A4USP2CLK4CYP2C19 | |
| SCHEMBL8487652 | 0.76 | DRD2 (0.58) | CYP1A2CYP3A4USP2CLK4CYP2C19 | |
| SCHEMBL8487648 | 0.76 | DRD2 (0.58) | CYP1A2CYP3A4USP2CLK4CYP2C19 | |
| SCHEMBL8488290 | 0.74 | IRAK4 (0.49) | CYP1A2CYP3A4USP2CLK4CYP2C19 | |
| SCHEMBL20577420 | 0.74 | RPS6KB1 (0.58) | CYP1A2CYP3A4USP2CLK4CYP2C19 | |
| SCHEMBL20577422 | 0.74 | RPS6KB1 (0.58) | CYP1A2CYP3A4USP2CLK4CYP2C19 |
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-0787128-A1 | SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1997-08-06 | — | — | EP | disclosed |
| WO-1996011913-A1 | SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1996-04-25 | — | — | WO | disclosed |