Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CASP1 | P29466 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL18386492 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| SCHEMBL5953121 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL865049 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| SCHEMBL2232910 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| SCHEMBL13809208 | 0.74 | CASP1 (0.41) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| SCHEMBL455280 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| SCHEMBL2555304 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| SCHEMBL14448167 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| SCHEMBL792457 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CASP1MAPK1KMT2ATSHR | |
| Ammonia Solution, Strong SCHEMBL10938680 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CASP1MAPK1KMT2ATSHR |
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-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 |