Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.46 |
| ▸ | TPH1 | P17752 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24342054 | 0.86 | PDE5A (0.55) | SMN1; SMN2HDAC1PDE5AACP1ADORA3 | |
| SCHEMBL19679830 | 0.86 | PDE5A (0.55) | SMN1; SMN2HDAC1PDE5AACP1ADORA3 | |
| SCHEMBL5336737 | 0.86 | PDE5A (0.55) | SMN1; SMN2HDAC1PDE5AACP1ADORA3 | |
| SCHEMBL22041442 | 0.86 | PDE5A (0.55) | SMN1; SMN2HDAC1PDE5AACP1ADORA3 | |
| SCHEMBL29117462 | 0.84 | SMN1; SMN2 (0.48) | SMN1; SMN2TPH1HDAC1PTGS1PTGS2 | |
| SCHEMBL29117417 | 0.84 | NPSR1 (0.54) | SMN1; SMN2HDAC1PDE5AACP1ADORA3 | |
| SCHEMBL29117406 | 0.81 | NPC1 (0.59) | SMN1; SMN2TPH1HDAC1NUDT1PTGS1 | |
| SCHEMBL29117468 | 0.81 | SMN1; SMN2 (0.57) | SMN1; SMN2CSNK1D | |
| SCHEMBL29117469 | 0.78 | NPC1 (0.59) | SMN1; SMN2PDE4BPDE4D | |
| SCHEMBL29117438 | 0.78 | CHRNA7 (0.58) | SMN1; SMN2PTGS1PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030148269-A1 | Centrifugally-enhanced method of determining ligand/target affinity | HOLZMAN THOMAS F (US) | 2003-08-07 | — | — | US | disclosed |
| EP-1161684-A1 | CENTRIFUGALLY-ENHANCED METHOD OF DETERMINING LIGAND/TARGET AFFINITY | ABBOTT LABORATORIES (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055625-A1 | CENTRIFUGALLY-ENHANCED METHOD OF DETERMINING LIGAND/TARGET AFFINITY | ABBOTT LABORATORIES (US) | 2000-09-21 | — | — | WO | disclosed |