Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27634479 | 0.76 | CYP2A6 (0.46) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL8437240 | 0.74 | ALDH1A1 (0.41) | CYP2A6CYP2B6CYP2E1CYP3A4KDM4E | |
| SCHEMBL9825770 | 0.71 | POLB (0.42) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL2125063 | 0.71 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL1310381 | 0.67 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL1310377 | 0.67 | ALDH1A1 (0.54) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL30340280 | 0.67 | ALDH1A1 (0.54) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL27989815 | 0.66 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL27705123 | 0.66 | CYP2A6 (0.36) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| Formaldehyde SCHEMBL28680174 | 0.64 | CYP2A6 (0.62) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113603674-B | 5,5 '-substituted 3,3' -bithiophene derivative, synthesis method and application thereof | 上海应用技术大学 | 2022-10-14 | — | — | CN | disclosed |
| CN-113603674-B | 5,5 '-substituted 3,3' -bithiophene derivative, synthesis method and application thereof | 上海应用技术大学 | 2022-10-14 | — | — | CN | disclosed |