Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 3/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | GLA | P06280 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9864858 | 0.89 | ALDH1A1 (0.46) | CACNA1CCACNA1FCACNA1DCACNA1SKDM4E | |
| SCHEMBL10968855 | 0.87 | CACNA1C (0.36) | CACNA1CCACNA1FCACNA1DCACNA1SKDM4E | |
| SCHEMBL11007467 | 0.81 | ALDH1A1 (0.46) | CACNA1CCACNA1FCACNA1DCACNA1SKDM4E | |
| SCHEMBL11006171 | 0.80 | KDM4E (0.45) | CACNA1CCACNA1FCACNA1DCACNA1SKDM4E | |
| SCHEMBL9557790 | 0.78 | KDM4E (0.38) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL11004817 | 0.77 | KDM4E (0.47) | CACNA1CCACNA1FCACNA1DCACNA1SKDM4E | |
| SCHEMBL10966704 | 0.76 | KDM4E (0.39) | CACNA1CCACNA1FCACNA1DCACNA1SKDM4E | |
| SCHEMBL11008208 | 0.74 | GPBAR1 (0.40) | KDM4EALDH1A1GAAHTTCYP3A4 | |
| SCHEMBL8868882 | 0.73 | KDM4E (0.39) | CACNA1CCACNA1FCACNA1DCACNA1SKDM4E | |
| SCHEMBL9865585 | 0.73 | CYP1A2 (0.58) | CACNA1CCACNA1FCACNA1DCACNA1SKDM4E |
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 |