Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL290331 | 0.76 | MGLL (0.45) | CYP2A6CYP2B6CYP2E1 | |
| SCHEMBL2556986 | 0.73 | CA2 (0.40) | — | |
| SCHEMBL2555036 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL22734782 | 0.71 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1ERN1KCNH2 | |
| SCHEMBL2125063 | 0.71 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1ERN1KCNH2 | |
| SCHEMBL2560661 | 0.70 | ESR2 (0.47) | CYP3A4CYP2C9 | |
| SCHEMBL2552971 | 0.70 | PDPK1 (0.44) | CYP2A6 | |
| SCHEMBL14184997 | 0.69 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1ERN1KCNH2 | |
| SCHEMBL4244869 | 0.69 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1ERN1KCNH2 | |
| SCHEMBL27605043 | 0.69 | ACMSD (0.45) | CYP2A6CYP2B6CYP2E1ERN1KCNH2 |
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-113189175-A | Preparation method of molecular imprinting sensor, product obtained by preparation method and application of molecular imprinting sensor | 南京大学 | 2021-07-30 | — | — | CN | claimed |
| CN-113189175-A | Preparation method of molecular imprinting sensor, product obtained by preparation method and application of molecular imprinting sensor | 南京大学 | 2021-07-30 | — | — | CN | disclosed |