Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CPB1 | P15086 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2041571 | 0.70 | KDM4E (0.42) | ALDH1A1MEN1KMT2ASMN1; SMN2GAA | |
| SCHEMBL22529977 | 0.69 | HDAC8 (0.41) | TBXAS1 | |
| SCHEMBL11279009 | 0.68 | MAPK1 (0.39) | ALDH1A1SMN1; SMN2LMNAPKMGAA | |
| SCHEMBL11280178 | 0.68 | MAPT (0.35) | ALDH1A1MEN1KMT2ACPB1SMN1; SMN2 | |
| SCHEMBL8795467 | 0.67 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ACPB1SMN1; SMN2 | |
| SCHEMBL19354581 | 0.67 | — | — | |
| SCHEMBL9903001 | 0.67 | — | — | |
| SCHEMBL12619945 | 0.67 | SMN1; SMN2 (0.48) | ALDH1A1MEN1KMT2ACPB1SMN1; SMN2 | |
| SCHEMBL17863581 | 0.64 | MAPK1 (0.37) | MEN1KMT2ASMN1; SMN2CYP2C19 | |
| SCHEMBL6368354 | 0.64 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2GAA |
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-115353523-A | Synthesis method of compound containing high-activity cyanomethyl | 吉林大学 | 2022-11-18 | — | — | CN | claimed |
| CN-115353523-A | Synthesis method of compound containing high-activity cyanomethyl | 吉林大学 | 2022-11-18 | — | — | CN | disclosed |