Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9418370 | 1.00 | CYP3A4 (0.70) | CYP3A4NPSR1MAPTADORA2BLMNA | |
| SCHEMBL23692246 | 0.91 | CYP3A4 (0.57) | CYP3A4NPSR1MAPTADORA2BLMNA | |
| SCHEMBL5178897 | 0.91 | CYP3A4 (0.57) | CYP3A4NPSR1MAPTADORA2BLMNA | |
| SCHEMBL15215819 | 0.88 | CYP3A4 (0.64) | CYP3A4NPSR1MAPTADORA2BLMNA | |
| SCHEMBL11034051 | 0.88 | CYP3A4 (0.64) | CYP3A4NPSR1MAPTADORA2BLMNA | |
| SCHEMBL10799429 | 0.86 | CYP3A4 (0.84) | CYP3A4NPSR1MAPTADORA2BLMNA | |
| 1,4-Butanediol SCHEMBL11143138 | 0.84 | CYP3A4 (0.73) | CYP3A4NPSR1MAPTADORA2BLMNA | |
| SCHEMBL830282 | 0.84 | CYP3A4 (0.54) | CYP3A4NPSR1MAPTADORA2BLMNA | |
| SCHEMBL28662 | 0.83 | CYP3A4 (1.00) | CYP3A4NPSR1MAPTADORA2BGAA | |
| SCHEMBL10804048 | 0.82 | CYP3A4 (0.76) | CYP3A4NPSR1MAPTADORA2BGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4548971-A | ADDING CYANURATE OR ISOCYANURATE TO SOLID POLYARYLENE SULFIDE TO INCREASE VISCOSITY | PHILLIPS PETROLEUM COMPANY (US) | 1985-10-22 | — | — | US | disclosed |
| US-4292151-A | MELT SPINNING THE BLOCK POLYMER WITH AN UNSATURATED COMPOUND; CURING WITH ACTINIC RADIATION | TEIJIN LIMITED (JP) | 1981-09-29 | — | — | US | disclosed |