Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28859636 | 0.82 | LCK (0.37) | ATRPTGDR2 | |
| SCHEMBL28860053 | 0.71 | ATR (0.39) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL28607387 | 0.70 | KCNMA1 (0.55) | MAPTSMN1; SMN2GAAKMT2ALMNA | |
| SCHEMBL6929852 | 0.70 | KCNMA1 (0.49) | MAPTSMN1; SMN2GAAMEN1ALDH1A1 | |
| SCHEMBL23164348 | 0.70 | ALDH1A1 (0.48) | MAPTMEN1ALDH1A1KMT2ALMNA | |
| SCHEMBL7011944 | 0.69 | MAPT (0.38) | MAPTGSTP1GSTM2SMN1; SMN2GAA | |
| SCHEMBL27835430 | 0.69 | MAPT (0.44) | MAPTSMN1; SMN2GAAMEN1ALDH1A1 | |
| SCHEMBL4591743 | 0.69 | MAPT (0.42) | MAPTSMN1; SMN2GAAMEN1ALDH1A1 | |
| SCHEMBL8650394 | 0.69 | L3MBTL1 (0.42) | SMN1; SMN2GAAMEN1KMT2ALMNA | |
| SCHEMBL15390593 | 0.69 | NQO2 (0.45) | GAAMEN1KMT2ALMNANPC1 |
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-106163509-B | β -substituted β -amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-106163509-A | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2016-11-23 | — | — | CN | disclosed |