Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CTSB | P07858 | 3/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28529092 | 1.00 | CYP2D6 (0.41) | CYP2D6AAK1KLK5CACNA1BACE | |
| SCHEMBL18428093 | 0.91 | KLK5 (0.42) | AAK1KLK5ACECTSSCTSK | |
| SCHEMBL18472306 | 0.85 | USP30 (0.36) | CYP2D6AAK1KLK5USP30KMT2A | |
| SCHEMBL28511519 | 0.83 | CACNA1B (0.39) | CYP2D6KLK5CACNA1BACEABCB1 | |
| SCHEMBL28511517 | 0.83 | CACNA1B (0.39) | CYP2D6KLK5CACNA1BACEABCB1 | |
| SCHEMBL28511501 | 0.83 | MAPT (0.47) | CACNA1BKMT2APPARGPPARA | |
| SCHEMBL28511503 | 0.83 | MAPT (0.47) | CACNA1BKMT2APPARGPPARA | |
| SCHEMBL28907024 | 0.79 | HDAC4 (0.53) | CYP2D6AAK1CACNA1BCTSSCTSK | |
| SCHEMBL28907026 | 0.79 | HDAC4 (0.53) | CYP2D6AAK1CACNA1BCTSSCTSK | |
| SCHEMBL22990703 | 0.76 | HSD17B1 (0.42) | ACECTSSCTSKCTSBJAK3 |
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 |