Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | KHK | P50053 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22115211 | 0.92 | KHK (0.44) | ALDH1A1USP2HPGDF10GBA1 | |
| SCHEMBL22115190 | 0.86 | F10 (0.48) | ALDH1A1F10SMN1; SMN2 | |
| SCHEMBL22115632 | 0.83 | HTT (0.43) | ALDH1A1SMN1; SMN2KCNH2CHRM1CHRM3 | |
| SCHEMBL22115669 | 0.81 | MEN1 (0.41) | ALDH1A1HPGDSMN1; SMN2CHRM1CHRM3 | |
| SCHEMBL526330 | 0.77 | ALDH1A1 (0.73) | ALDH1A1USP2HPGDSMN1; SMN2MC4R | |
| Hydrochloric Acid SCHEMBL3932337 | 0.76 | ALDH1A1 (0.71) | ALDH1A1USP2HPGDSMN1; SMN2MC4R | |
| SCHEMBL4034002 | 0.75 | CYP2C19 (0.60) | ALDH1A1SMN1; SMN2LMNAMC4RCYP2C19 | |
| SCHEMBL22115187 | 0.74 | SLC6A2 (0.43) | ALDH1A1F10 | |
| SCHEMBL22115157 | 0.73 | STS (0.64) | SMN1; SMN2LMNA | |
| SCHEMBL13459925 | 0.72 | ALDH1A1 (0.43) | ALDH1A1USP2HPGDF10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020119590-A1 | 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. | 中国科学院上海药物研究所 | 2020-06-18 | — | — | WO | disclosed |