Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | PGK1 | P00558 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL11226168 | 0.82 | ALDH1A1 (0.49) | ALDH1A1MAPK1HSD17B10TSHRHPGD | |
| SCHEMBL11241191 | 0.78 | WNT3A (0.45) | CYP3A4 | |
| SCHEMBL11159205 | 0.77 | MKNK1 (0.50) | LMNAKMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11248371 | 0.74 | CHEK1 (0.47) | ALDH1A1HSD17B10HPGDKDM4ELMNA | |
| SCHEMBL10841297 | 0.73 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HPGDKDM4ELMNA | |
| SCHEMBL11245356 | 0.70 | CYP2A6 (0.44) | ALDH1A1MAPK1HSD17B10TSHRCYP11B1 | |
| SCHEMBL2598836 | 0.70 | CYP11B1 (0.53) | ALDH1A1HPGDKDM4ECYP11B1CYP11B2 | |
| SCHEMBL10707484 | 0.69 | PDE3B (0.73) | ALDH1A1TSHRHPGDKDM4ELMNA | |
| SCHEMBL7272652 | 0.69 | CYP2A6 (0.47) | ALDH1A1MAPK1HSD17B10TSHRCYP11B1 | |
| SCHEMBL11251403 | 0.68 | PDE3B (0.50) | ALDH1A1TSHRHPGDKDM4ELMNA |
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-4362734-A | 2-(Substituted-amino)-5-(pyridinyl-nicotinonitriles, and their cardiotonic use | STERLING DRUG INC. (US) | 1982-12-07 | — | — | US | disclosed |