Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22439733 | 0.90 | ALDH1A1 (0.47) | HSP90AA1ALDH1A1KDM4ETSHRCYP3A4 | |
| SCHEMBL22406843 | 0.89 | POLB (0.41) | POLBHPGDHSP90AA1ALDH1A1KDM4E | |
| SCHEMBL22406966 | 0.89 | KMT2A (0.43) | POLBHSP90AA1ALDH1A1KDM4ETSHR | |
| SCHEMBL28922872 | 0.89 | KMT2A (0.43) | POLBHSP90AA1ALDH1A1KDM4ETSHR | |
| SCHEMBL30089753 | 0.89 | KMT2A (0.43) | POLBHSP90AA1ALDH1A1KDM4ETSHR | |
| SCHEMBL23925318 | 0.89 | KMT2A (0.43) | POLBHSP90AA1ALDH1A1KDM4ETSHR | |
| SCHEMBL22439709 | 0.86 | CYP3A4 (0.47) | HSP90AA1ALDH1A1CYP3A4CYP19A1KMT2A | |
| SCHEMBL22439735 | 0.86 | CYP3A4 (0.47) | HSP90AA1ALDH1A1CYP3A4CYP19A1KMT2A | |
| SCHEMBL22439716 | 0.85 | KMT2A (0.38) | POLBHPGDHSP90AA1ALDH1A1KDM4E | |
| SCHEMBL22406942 | 0.82 | PPARG (0.38) | HPGDHSP90AA1ALDH1A1CYP3A4CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3712135-A1 | AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE | Kureha Corporation (JP) | 2020-09-23 | — | — | EP | disclosed |