Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.36 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.36 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9453179 | 0.79 | CYP3A4 (0.42) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL9122677 | 0.76 | ADORA2B (0.55) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL10856290 | 0.71 | ADORA2B (0.61) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10857602 | 0.70 | PDE1A (0.66) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL4953015 | 0.70 | ADORA2B (0.52) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL11069719 | 0.69 | PDE2A (0.54) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL157928 | 0.66 | CYP3A4 (0.71) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL13661089 | 0.66 | CYP3A4 (0.58) | CYP3A4ADORA2BADORA2APDE4APDE4B | |
| SCHEMBL10855008 | 0.66 | ADORA2A (0.49) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL28662 | 0.65 | CYP3A4 (1.00) | 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-4772607-A | ALZHEIMER*S DISEASE, CNS STIMULANT, ANTIFIBRILLATORY, BRONCHODILATOR | WARNER-LAMBERT COMPANY (US) | 1988-09-20 | — | — | US | disclosed |