Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28511488 | 0.79 | GSTP1 (0.34) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28526955 | 0.77 | SMN1; SMN2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28517931 | 0.77 | MAPT (0.46) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28519526 | 0.75 | CYP2C19 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7307111 | 0.74 | TSHR (0.44) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7312045 | 0.73 | TSHR (0.43) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28607387 | 0.70 | KCNMA1 (0.55) | L3MBTL1TSHRHTTMAPTGAA | |
| SCHEMBL4120809 | 0.69 | PRSS1 (0.50) | ALDH1A1KDM4ETSHRHTTMAPT | |
| SCHEMBL7447972 | 0.69 | ALDH1A1 (0.53) | ALDH1A1HTTMAPTPOLB | |
| SCHEMBL4832898 | 0.69 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1KDM4EHTTMAPT |
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 |