Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.44 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.44 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | GLA | P06280 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11007467 | 0.92 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1CACNA1CCACNA1F | |
| SCHEMBL9557790 | 0.89 | KDM4E (0.38) | ALDH1A1KDM4EHPGDTDP1GAA | |
| SCHEMBL9864963 | 0.89 | CACNA1C (0.42) | ALDH1A1KDM4EHPGDTDP1CACNA1C | |
| SCHEMBL10966704 | 0.86 | KDM4E (0.39) | ALDH1A1KDM4EHPGDTDP1CACNA1C | |
| SCHEMBL11006171 | 0.85 | KDM4E (0.45) | ALDH1A1KDM4EHPGDTDP1CACNA1C | |
| SCHEMBL9689389 | 0.82 | KDM4E (0.40) | ALDH1A1KDM4ETDP1CACNA1CCACNA1F | |
| SCHEMBL11004817 | 0.82 | KDM4E (0.47) | ALDH1A1KDM4EHPGDTDP1CACNA1C | |
| SCHEMBL8868882 | 0.78 | KDM4E (0.39) | ALDH1A1KDM4ETDP1CACNA1CCACNA1F | |
| SCHEMBL9867642 | 0.78 | PYGL (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9865516 | 0.77 | PYGL (0.48) | ALDH1A1KDM4ECACNA1CCACNA1FCACNA1D |
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-5026714-A | Novel 1-alkyl-substituted 1,4-dihydropyridinelactone anti-diabetics | BAYER AKTIENGESELLSCHAFT (DE) | 1991-06-25 | — | — | US | disclosed |