Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10653759 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL9865516 | 0.82 | PYGL (0.48) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL9865957 | 0.81 | PYGL (0.44) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL9866867 | 0.79 | ALDH1A1 (0.63) | CYP3A4CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL11004817 | 0.78 | KDM4E (0.47) | ALDH1A1ACHEL3MBTL1GAAKDM4E | |
| SCHEMBL9867642 | 0.77 | PYGL (0.46) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL30157261 | 0.76 | PYGM (0.62) | PYGLPYGM | |
| SCHEMBL4072118 | 0.76 | PYGM (0.62) | PYGLPYGM | |
| SCHEMBL11003915 | 0.76 | KDM4E (0.45) | CYP3A4CYP2C9ALOX12CYP2C19ALDH1A1 | |
| SCHEMBL11004012 | 0.75 | NPSR1 (0.50) | ALOX12ALDH1A1POLBSMN1; SMN2HTT |
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 |