Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.43 |
| ▸ | KDM6B | O15054 | 1/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | KDM5C | P41229 | 1/20 | 0.43 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.43 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11236144 | 0.88 | BTK (0.51) | CHEK1EGLN1HSD17B1HSD17B2DHODH | |
| SCHEMBL10991971 | 0.82 | KDM4E (0.56) | KDM4EGAAHPGDHSD17B10KDM4C | |
| SCHEMBL10989508 | 0.82 | GAA (0.49) | KDM4EGAAHPGDHSD17B10KDM4C | |
| SCHEMBL11248993 | 0.81 | GAA (0.50) | KDM4EGAAHPGDHSD17B10KDM6B | |
| SCHEMBL7276070 | 0.79 | PDE3B (0.61) | KDM4EGAAHPGDHSD17B10PIN1 | |
| SCHEMBL17427074 | 0.78 | KDM4E (0.56) | KDM4EPIN1KDM4CKDM6BKDM4A | |
| SCHEMBL11242781 | 0.78 | CHEK1 (0.47) | KDM4EGAAHPGDCHEK1MET | |
| SCHEMBL11248052 | 0.78 | PDE3B (0.60) | KDM4EGAAHPGDCHEK1MET | |
| SCHEMBL11232487 | 0.77 | JAK1 (0.46) | KDM4EHPGDHSD17B10CHEK1KMT2A | |
| SCHEMBL11239131 | 0.77 | APLNR (0.43) | KDM6BKDM4AKDM2AKDM5B |
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-4312875-A | 5-(Pyridinyl)-6-(lower-alkyl)-2(1H)-pyridinones, 1,2-dihydro-2-oxo-5-(pyridinyl)-6-(lower-alkyl)nicotinic acids and lower-alkyl esters thereof, and cardiotonic use thereof | STERLING DRUG INC. (US) | 1982-01-26 | — | — | US | disclosed |