Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28526437 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPTGAACYP1A2 | |
| SCHEMBL28520598 | 0.76 | SMN1; SMN2 (0.35) | ALDH1A1MAPTRAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL28448767 | 0.73 | L3MBTL1 (0.35) | GSTP1GSTM2ALDH1A1KDM4EMAPT | |
| SCHEMBL28379677 | 0.71 | CA1 (0.34) | ALDH1A1KDM4EMAPTLMNAGLA | |
| SCHEMBL28607387 | 0.69 | KCNMA1 (0.55) | MAPTLMNAGAARAB9AHSD17B10 | |
| SCHEMBL8896631 | 0.69 | ALDH1A1 (0.53) | ALDH1A1MAPTLMNAGAAHPGD | |
| SCHEMBL20591993 | 0.69 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTLMNAGLA | |
| SCHEMBL5489268 | 0.68 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAGAAHPGD | |
| SCHEMBL12730443 | 0.67 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL28112641 | 0.67 | MAPT (0.37) | GSTP1GSTM2ALDH1A1MAPTLMNA |
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-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |