Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 1/20 | 0.57 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.57 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.55 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.55 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.55 |
| ▸ | TLR2 | O60603 | 2/20 | 0.54 |
| ▸ | ECE1 | P42892 | 2/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | CTSS | P25774 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 2/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | CASP9 | P55211 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728466 | 1.00 | CPB1 (0.57) | CPB1CPB2SIRT2SIRT1SIRT3 | |
| SCHEMBL9516479 | 0.90 | SIRT2 (0.62) | CPB1CPB2SIRT2SIRT1SIRT3 | |
| SCHEMBL3798058 | 0.89 | ECE1 (0.64) | CPB1CPB2SIRT2SIRT1SIRT3 | |
| SCHEMBL3798063 | 0.89 | ECE1 (0.64) | CPB1CPB2SIRT2SIRT1SIRT3 | |
| Hydrochloric Acid SCHEMBL31550502 | 0.88 | ECE1 (0.63) | CPB1CPB2SIRT2SIRT1SIRT3 | |
| SCHEMBL31094970 | 0.87 | SIRT1 (0.56) | CPB1CPB2SIRT2SIRT1SIRT3 | |
| SCHEMBL2119163 | 0.84 | CTSL (0.62) | ECE1CTSLCTSSCTSBCTSK | |
| SCHEMBL11118896 | 0.84 | CTSL (0.62) | ECE1CTSLCTSSCTSBCTSK | |
| SCHEMBL2688986 | 0.83 | CTSK (0.59) | CPB1CPB2ECE1CTSLCTSS | |
| SCHEMBL31235861 | 0.83 | CTSB (0.57) | CPB1CPB2SIRT2SIRT1SIRT3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114409562-B | CA4 derivative and ligand-drug conjugate thereof | 四川百利药业有限责任公司 | 2024-08-02 | — | — | CN | disclosed |
| WO-2022166719-A1 | CA4 DERIVATIVE AND LIGAND-DRUG CONJUGATE THEREOF | 四川百利药业有限责任公司 | 2022-08-11 | — | — | WO | disclosed |
| CN-114409562-A | CA4 derivative and ligand-drug conjugate thereof | 四川百利药业有限责任公司 | 2022-04-29 | — | — | CN | disclosed |