Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10626163 | 0.79 | CYP3A4 (0.44) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL10627296 | 0.67 | ADORA2A (0.36) | CYP3A4ADORA2BADORA2ACYP1A2CYP2D6 | |
| SCHEMBL9158460 | 0.66 | ADORA2B (0.53) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL9158476 | 0.66 | ADORA2B (0.53) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL10627290 | 0.66 | ADORA2B (0.33) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL157928 | 0.64 | CYP3A4 (0.71) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL28662 | 0.63 | CYP3A4 (1.00) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL11077876 | 0.63 | CYP3A4 (0.68) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL9122677 | 0.62 | ADORA2B (0.55) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL18127922 | 0.62 | ADORA2B (0.55) | CYP3A4ADORA2BADORA2APDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| US-5208240-A | Alzeheimer's, cardiovascular, respiratory | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-05-04 | — | — | US | disclosed |