Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 6/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28648701 | 0.81 | ALDH1A1 (0.46) | CYP2A6CES1ALDH1A1MAPTSRC | |
| SCHEMBL28458232 | 0.79 | GAA (0.38) | PYCR1CYP2A6CES1ALDH1A1POLB | |
| SCHEMBL28636212 | 0.79 | APP (0.39) | PYCR1CES1ALDH1A1NPSR1TAAR1 | |
| SCHEMBL28640840 | 0.78 | MEN1 (0.38) | ALDH1A1POLBNPSR1MAOBMAPT | |
| SCHEMBL28471408 | 0.76 | SLC2A1 (0.47) | CES1ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL5294663 | 0.73 | TAAR1 (0.41) | PYCR1CYP2A6CES2CES1ALDH1A1 | |
| SCHEMBL3174864 | 0.71 | CYP2A6 (0.38) | PYCR1CYP2A6CES2CES1ALDH1A1 | |
| SCHEMBL31259044 | 0.71 | PYCR1 (0.57) | PYCR1ALDH1A1TAAR1MAOBKDM4E | |
| SCHEMBL6671505 | 0.67 | PYCR1 (0.39) | PYCR1CYP2A6ALDH1A1POLBTAAR1 | |
| SCHEMBL59844 | 0.66 | ALDH1A1 (0.69) | CYP2A6ALDH1A1NPSR1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113683550-A | Synthesis method of N- (cyano (2-cyano substituted phenyl) methyl) substituted tertiary amine | 兰州大学 | 2021-11-23 | — | — | CN | disclosed |