Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | ACE | P12821 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10274326 | 1.00 | DRD2 (0.39) | DRD2DRD4ACE | |
| SCHEMBL18435362 | 0.85 | PRKCG (0.43) | DRD2DRD4ACE | |
| SCHEMBL13006634 | 0.82 | LMNA (0.40) | DRD2DRD4ACE | |
| SCHEMBL13831594 | 0.77 | NOTUM (0.50) | — | |
| SCHEMBL19337132 | 0.77 | MTNR1A (0.46) | DRD2DRD4 | |
| SCHEMBL7674419 | 0.77 | NOTUM (0.50) | — | |
| SCHEMBL10193173 | 0.77 | MTNR1A (0.46) | DRD2DRD4 | |
| SCHEMBL13831608 | 0.77 | NOTUM (0.50) | — | |
| SCHEMBL13587827 | 0.76 | CXCR4 (0.41) | ACE | |
| SCHEMBL11395616 | 0.75 | MTNR1A (0.37) | ACE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023165943-A1 | 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-09-07 | — | — | WO | disclosed |
| EP-3002281-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2016-04-06 | — | — | EP | disclosed |