Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL28533679 | 1.00 | AAK1 (0.37) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL18427941 | 0.92 | IDO1 (0.40) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL16970635 | 0.90 | LMNA (0.36) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL28514875 | 0.90 | LMNA (0.36) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL28524714 | 0.90 | LMNA (0.36) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL28520990 | 0.90 | LMNA (0.36) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL28514874 | 0.90 | LMNA (0.36) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL28519433 | 0.90 | LMNA (0.36) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL28527911 | 0.89 | LMNA (0.35) | AAK1LMNAATMKMT2ACYP2D6 | |
| SCHEMBL28526403 | 0.88 | CACNA1B (0.39) | AAK1LMNAATMKMT2ACYP2D6 |
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 |