Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPFFR1 | Q9GZQ6 | 6/20 | 0.58 |
| ▸ | NPFFR2 | Q9Y5X5 | 6/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14813972 | 0.90 | NPFFR1 (0.57) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL6703813 | 0.87 | NPFFR1 (0.61) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL17606484 | 0.87 | NPFFR1 (0.61) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL23538736 | 0.86 | NPFFR1 (0.60) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL28276091 | 0.86 | NPFFR1 (0.60) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL23538908 | 0.85 | NPFFR1 (0.59) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL13738215 | 0.83 | NPFFR1 (0.57) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL1770778 | 0.83 | NPFFR1 (0.57) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL4295050 | 0.83 | NPFFR1 (0.57) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL4795708 | 0.83 | NPFFR1 (0.57) | NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A |
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-2012000608-A2 | NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES | GLUESENKAMP KARL-HEINZ (DE) | 2012-01-05 | — | — | WO | disclosed |