Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 6/20 | 0.54 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.54 |
| ▸ | INCENP | Q9NQS7 | 6/20 | 0.54 |
| ▸ | AURKA | O14965 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | THRB | P10828 | 3/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.54 |
| ▸ | PDE4A | P27815 | 5/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10998515 | 0.82 | PDGFRB (0.47) | TTKAURKBINCENPAURKAMAPT | |
| SCHEMBL10999330 | 0.81 | TTK (0.62) | TTKAURKBINCENPAURKAMAPT | |
| SCHEMBL11000584 | 0.81 | PARP1 (0.49) | MAPTTHRBPDE4APDE4BPDE4C | |
| SCHEMBL10993041 | 0.81 | MAPT (0.53) | TTKAURKBINCENPAURKAMAPT | |
| SCHEMBL10996706 | 0.80 | ALDH1A1 (0.43) | TTKAURKBINCENPAURKAMAPT | |
| SCHEMBL10992852 | 0.78 | AURKB (0.67) | TTKAURKBINCENPAURKAMAPT | |
| SCHEMBL10889950 | 0.78 | MCL1 (0.60) | MAPTTHRBPDE4APDE4BPDE4C | |
| SCHEMBL19461519 | 0.78 | KIT (0.45) | TTKAURKBINCENPAURKAMAPT | |
| SCHEMBL10887196 | 0.77 | MCL1 (0.56) | TTKAURKBINCENPAURKAMAPT | |
| SCHEMBL10992711 | 0.77 | TTK (0.61) | TTKAURKBINCENPAURKAMAPT |
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-4559352-A | 1,2-Dihydro-2-oxo-5-(hydroxy-and/or amino-phenyl)-nicotinonitriles and cardiotonic use thereof | STERLING DRUG INC. (US) | 1985-12-17 | — | — | US | disclosed |
| US-4515797-A | 3-Amino-5-(hydroxy- and/or aminophenyl)-6-(lower-alkyl)-2(1H)-pyridinones and cardiotonic use thereof | STERLING DRUG INC. (US) | 1985-05-07 | — | — | US | disclosed |
| EP-0061774-A2 | 3-Amino-5-(substituted)-2 (1H) pyridinones and 3-cyano compounds useful as cardiotonics and preparation thereof | STERLING DRUG INC. (US) | 1982-10-06 | — | — | EP | disclosed |