Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247724 | 0.78 | PIK3CD (0.44) | KDM4EALDH1A1NPSR1TDP1LRRK2 | |
| SCHEMBL11234743 | 0.78 | ALDH1A1 (0.61) | KDM4ESMN1; SMN2ALDH1A1NPSR1TDP1 | |
| SCHEMBL10844708 | 0.75 | SMN1; SMN2 (0.39) | KDM4ESMN1; SMN2ALDH1A1CHUKMAPK1 | |
| SCHEMBL11248371 | 0.75 | CHEK1 (0.47) | KDM4ESMN1; SMN2ALDH1A1NPSR1TDP1 | |
| SCHEMBL5495399 | 0.73 | KDM4E (0.41) | KDM4ESMN1; SMN2ALDH1A1CHUKLRRK2 | |
| SCHEMBL11248859 | 0.73 | ALDH1A1 (0.41) | KDM4ESMN1; SMN2ALDH1A1NPSR1TDP1 | |
| SCHEMBL27241713 | 0.72 | GRIN1 (0.40) | SMN1; SMN2ALDH1A1NPSR1TDP1CYP1A2 | |
| SCHEMBL7285793 | 0.72 | CHEK1 (0.47) | KDM4ESMN1; SMN2ALDH1A1NPSR1TDP1 | |
| SCHEMBL27241707 | 0.72 | ALDH1A1 (0.50) | KDM4EALDH1A1NPSR1TDP1GRM5 | |
| SCHEMBL17591608 | 0.71 | EGFR (0.37) | KDM4ESMN1; SMN2ALDH1A1TDP1CHUK |
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 |