Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28528090 | 1.00 | ATM (0.39) | ATMCTSSCTSKCYP3A4HDAC3 | |
| SCHEMBL28511515 | 0.94 | CTSS (0.40) | ATMCTSSCTSKCYP3A4HDAC3 | |
| SCHEMBL28511512 | 0.94 | CTSS (0.40) | ATMCTSSCTSKCYP3A4HDAC3 | |
| SCHEMBL18427962 | 0.92 | ATM (0.41) | ATMCTSSCTSKCYP3A4HDAC3 | |
| SCHEMBL28526999 | 0.88 | ATM (0.42) | ATMCTSSCTSKCYP3A4APP | |
| SCHEMBL28526998 | 0.88 | ATM (0.42) | ATMCTSSCTSKCYP3A4APP | |
| SCHEMBL18472382 | 0.87 | PAX8 (0.32) | — | |
| SCHEMBL18427959 | 0.86 | CTSS (0.42) | ATMCTSSCTSKCYP3A4HDAC3 | |
| SCHEMBL28521367 | 0.83 | ATM (0.36) | ATMCTSSCTSKHDAC3HDAC4 | |
| SCHEMBL28520997 | 0.83 | AAK1 (0.36) | ATMCACNA1BABCB1ACECTSL |
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 |