Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28523122 | 1.00 | CYP2D6 (0.37) | CYP2D6KLK5LMNASMN1; SMN2CA1 | |
| SCHEMBL18427932 | 0.92 | KLK5 (0.37) | CYP2D6KLK5LMNASMN1; SMN2CA1 | |
| SCHEMBL18472354 | 0.87 | SMN1; SMN2 (0.31) | LMNASMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL16970637 | 0.82 | LMNA (0.35) | CYP2D6KLK5LMNASMN1; SMN2CA1 | |
| SCHEMBL16970703 | 0.82 | KLK5 (0.37) | CYP2D6KLK5LMNASMN1; SMN2CA1 | |
| SCHEMBL28519528 | 0.80 | CYP2D6 (0.44) | CYP2D6KLK5SMN1; SMN2CA1CA2 | |
| SCHEMBL28519527 | 0.80 | CYP2D6 (0.44) | CYP2D6KLK5SMN1; SMN2CA1CA2 | |
| SCHEMBL16970635 | 0.79 | LMNA (0.36) | CYP2D6LMNASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL28520990 | 0.79 | LMNA (0.36) | CYP2D6LMNASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL28524714 | 0.79 | LMNA (0.36) | CYP2D6LMNASMN1; SMN2ALDH1A1KMT2A |
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 |