Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 6/20 | 0.40 |
| ▸ | CMA1 | P23946 | 5/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL28296480 | 0.89 | MMP8 (0.44) | ALDH1A1RECQLMMP8L3MBTL1GAA | |
| SCHEMBL28873305 | 0.89 | ALDH1A1 (0.42) | ALDH1A1RECQLMMP8L3MBTL1KDM4E | |
| SCHEMBL28296475 | 0.89 | ALDH1A1 (0.42) | ALDH1A1RECQLMMP8L3MBTL1KDM4E | |
| SCHEMBL28294787 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KDM4EKMT2ALMNA | |
| SCHEMBL28796243 | 0.77 | ALDH1A1 (0.48) | ALDH1A1RECQLMMP8CTSGCMA1 | |
| SCHEMBL7942748 | 0.71 | ALDH1A1 (0.55) | ALDH1A1RECQLMMP8L3MBTL1MAPT | |
| SCHEMBL23699289 | 0.70 | MMP8 (0.57) | ALDH1A1RECQLMMP8L3MBTL1MAPT | |
| SCHEMBL29277135 | 0.70 | ALDH1A1 (0.54) | ALDH1A1RECQLMMP8L3MBTL1GAA | |
| SCHEMBL29277106 | 0.70 | CYP2A6 (0.44) | ALDH1A1RECQLMMP8L3MBTL1KDM4E | |
| SCHEMBL5201387 | 0.68 | SMN1; SMN2 (0.42) | ALDH1A1RECQLMMP8L3MBTL1KDM4E |
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-109694334-A | The non-solvent preparation of disubstituted cyanoacetic acid ester compounds | 西华大学 | 2019-04-30 | — | — | CN | disclosed |