Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.35 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28515383 | 1.00 | AAK1 (0.40) | AAK1MAPTSMN1; SMN2CA12CA1 | |
| SCHEMBL16970734 | 1.00 | AAK1 (0.40) | AAK1MAPTSMN1; SMN2CA12CA1 | |
| SCHEMBL18428019 | 0.92 | AAK1 (0.40) | AAK1MAPTSMN1; SMN2CA12CA1 | |
| SCHEMBL17868343 | 0.92 | AAK1 (0.40) | AAK1MAPTSMN1; SMN2CA12CA1 | |
| SCHEMBL16979717 | 0.88 | LMNA (0.32) | AAK1MAPTSMN1; SMN2KCNQ4KCNQ5 | |
| SCHEMBL18472303 | 0.88 | LMNA (0.32) | AAK1MAPTSMN1; SMN2KCNQ4KCNQ5 | |
| SCHEMBL28907008 | 0.83 | HDAC4 (0.47) | AAK1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL28907009 | 0.83 | HDAC4 (0.47) | AAK1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL18026002 | 0.82 | SMN1; SMN2 (0.51) | AAK1MAPTSMN1; SMN2CA12CA1 | |
| SCHEMBL16970736 | 0.81 | CTSS (0.36) | AAK1MAPTSMN1; SMN2CA2KCNQ4 |
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 |