Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8813449 | 0.89 | LMNA (0.43) | LMNAHTTCYP2D6MAPK1TSHR | |
| SCHEMBL8586535 | 0.83 | HTT (0.39) | HTTTSHRSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL9099551 | 0.82 | HTT (0.47) | LMNAHTTCYP2D6MAPK1TSHR | |
| SCHEMBL9568576 | 0.80 | HTT (0.38) | LMNAHTTTSHRCYP1A2CYP2C19 | |
| SCHEMBL9615906 | 0.78 | HTT (0.43) | LMNAHTTTSHRSNCAALDH1A1 | |
| SCHEMBL8584121 | 0.77 | HTT (0.43) | LMNAHTTCYP2D6MAPK1TSHR | |
| SCHEMBL600325 | 0.77 | ALDH1A1 (0.36) | LMNAHTTTSHRSNCAALDH1A1 | |
| SCHEMBL890364 | 0.77 | AKR1C3 (0.51) | LMNATSHRCYP1A2CYP2C9MAPT | |
| SCHEMBL21714045 | 0.76 | HTT (0.38) | LMNAHTTCYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL776507 | 0.76 | HTT (0.39) | LMNAHTTTSHRSMN1; SMN2CYP1A2 |
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-112778202-B | Benzyl pyrazole ionic liquid compound and preparation method and application thereof | 河南大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-112778202-A | Benzyl pyrazole ionic liquid compound and preparation method and application thereof | 河南大学 | 2021-05-11 | — | — | CN | disclosed |