Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28907006 | 1.00 | MAPK1 (0.41) | MAPK1AAK1CYP2D6ATMHDAC3 | |
| SCHEMBL18428067 | 0.92 | AAK1 (0.39) | MAPK1AAK1ATMHDAC3HDAC4 | |
| SCHEMBL28526496 | 0.89 | HDAC3 (0.41) | AAK1CYP2D6ATMHDAC3HDAC4 | |
| SCHEMBL28526498 | 0.89 | HDAC3 (0.41) | AAK1CYP2D6ATMHDAC3HDAC4 | |
| SCHEMBL18472368 | 0.85 | MAPK1 (0.38) | MAPK1CYP2D6KDM4EGAAMAPT | |
| SCHEMBL28524707 | 0.85 | HDAC3 (0.41) | AAK1ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL16970764 | 0.85 | HDAC3 (0.41) | AAK1ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL28520959 | 0.84 | CYP2D6 (0.42) | MAPK1AAK1CYP2D6ATMKDM4E | |
| SCHEMBL28520956 | 0.84 | CYP2D6 (0.42) | MAPK1AAK1CYP2D6ATMKDM4E | |
| SCHEMBL16970672 | 0.84 | CYP2D6 (0.42) | MAPK1AAK1CYP2D6ATMKDM4E |
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 |