Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL28511517 | 1.00 | CACNA1B (0.39) | CACNA1BLMNASMN1; SMN2CTSSCTSK | |
| SCHEMBL18427942 | 0.92 | CTSS (0.39) | LMNASMN1; SMN2CTSSCTSKCTSL | |
| SCHEMBL18472310 | 0.86 | EGFR (0.35) | LMNASMN1; SMN2EGFRERBB2USP30 | |
| SCHEMBL28907008 | 0.84 | HDAC4 (0.47) | CACNA1BLMNASMN1; SMN2CTSSCTSK | |
| SCHEMBL28907009 | 0.84 | HDAC4 (0.47) | CACNA1BLMNASMN1; SMN2CTSSCTSK | |
| SCHEMBL28529092 | 0.83 | CYP2D6 (0.41) | CACNA1BCTSSCTSKCTSLABCB1 | |
| SCHEMBL28529095 | 0.83 | CYP2D6 (0.41) | CACNA1BCTSSCTSKCTSLABCB1 | |
| SCHEMBL28521002 | 0.80 | ATM (0.45) | CACNA1BLMNASMN1; SMN2CTSSCTSK | |
| SCHEMBL28521000 | 0.80 | ATM (0.45) | CACNA1BLMNASMN1; SMN2CTSSCTSK | |
| SCHEMBL28511501 | 0.80 | MAPT (0.47) | CACNA1BSMN1; SMN2 |
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 |