Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 6/20 | 0.48 |
| ▸ | PPARG | P37231 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.44 |
| ▸ | BCL2 | P10415 | 3/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 5/20 | 0.43 |
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28070912 | 1.00 | ACE (0.49) | ACEPPARAPPARGALDH1A1ITGB3 | |
| SCHEMBL28070807 | 0.90 | PPARA (0.47) | ACEPPARAPPARGITGB3ITGA2B | |
| SCHEMBL15414701 | 0.86 | ALDH1A1 (0.52) | ACEPPARAPPARGALDH1A1ITGB3 | |
| SCHEMBL15414703 | 0.86 | ALDH1A1 (0.52) | ACEPPARAPPARGALDH1A1ITGB3 | |
| SCHEMBL28070779 | 0.85 | ATM (0.39) | ACEPPARAPPARGALDH1A1BCL2 | |
| SCHEMBL28070782 | 0.85 | ATM (0.39) | ACEPPARAPPARGALDH1A1BCL2 | |
| SCHEMBL2791359 | 0.85 | ACE (0.53) | ACEPPARAPPARGALDH1A1ITGB3 | |
| SCHEMBL2791356 | 0.85 | ACE (0.53) | ACEPPARAPPARGALDH1A1ITGB3 | |
| SCHEMBL21639274 | 0.84 | PPARA (0.53) | ACEPPARAPPARGALDH1A1ITGB3 | |
| SCHEMBL21639273 | 0.84 | PPARA (0.53) | ACEPPARAPPARGALDH1A1ITGB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912683-A | Cytotoxin molecule, conjugate, preparation method and application thereof | 杭州多禧生物科技有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-105641707-A | Conjugates of cytotoxic molecules and cell-binding receptor molecules | 杭州多禧生物科技有限公司 | 2016-06-08 | — | — | CN | disclosed |