Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | GLA | P06280 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9865258 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL10649530 | 0.83 | PYGL (0.39) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL10652934 | 0.81 | ALDH1A1 (0.51) | ALDH1A1POLBSMN1; SMN2TSHRKDM4E | |
| SCHEMBL9691896 | 0.80 | KDM4E (0.41) | ALDH1A1KDM4EL3MBTL1GAATDP1 | |
| SCHEMBL10967987 | 0.79 | ALDH1A1 (0.44) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL9829022 | 0.77 | PYGL (0.48) | PYGLPYGM | |
| SCHEMBL9691805 | 0.77 | ALDH1A1 (0.36) | CYP2C9ALDH1A1POLBSMN1; SMN2HTT | |
| SCHEMBL9690849 | 0.77 | KDM4E (0.39) | ALDH1A1POLBSMN1; SMN2ACHEKDM4E | |
| SCHEMBL10648966 | 0.74 | ALDH1A1 (0.56) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL10914136 | 0.74 | POLB (0.39) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0158138-B1 | 1-ALKYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE LACTONES, METHOD FOR THEIR PREPARATION AND THEIR USE IN MEDICINES | BAYER AG (DE) | 1988-10-12 | — | — | EP | disclosed |
| EP-0158138-A1 | 1-Alkyl-substituted 1,4-dihydropyridine lactones, method for their preparation and their use in medicines | BAYER AG (DE) | 1985-10-16 | — | — | EP | disclosed |