Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.61 |
| ▸ | CTSB | P07858 | 3/20 | 0.61 |
| ▸ | LNPEP | Q9UIQ6 | 5/20 | 0.52 |
| ▸ | ERAP2 | Q6P179 | 4/20 | 0.52 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.52 |
| ▸ | CTSD | P07339 | 1/20 | 0.51 |
| ▸ | IL1RN | P18510 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7377191 | 0.93 | CTSK (0.58) | CTSKCTSBLNPEPERAP2ERAP1 | |
| SCHEMBL29770321 | 0.88 | CTSB (0.56) | CTSKCTSBLNPEPERAP2ERAP1 | |
| SCHEMBL29832541 | 0.88 | CTSB (0.56) | CTSKCTSBLNPEPERAP2ERAP1 | |
| Hydrochloric Acid SCHEMBL7332600 | 0.88 | SLC15A1 (0.52) | CTSKCTSBLNPEPERAP2ERAP1 | |
| SCHEMBL9099075 | 0.87 | CTSB (0.51) | CTSKCTSBLNPEPERAP2ERAP1 | |
| SCHEMBL9099082 | 0.87 | CTSK (0.51) | CTSKCTSBLNPEPERAP2ERAP1 | |
| SCHEMBL14493054 | 0.87 | CTSK (0.53) | CTSKCTSBCTSSCTSL | |
| SCHEMBL27824395 | 0.86 | CTSK (0.58) | CTSKCTSBCTSSCTSL | |
| SCHEMBL11209394 | 0.86 | CTSK (0.58) | CTSKCTSBCTSSCTSL | |
| SCHEMBL31410669 | 0.85 | CTSB (0.56) | CTSKCTSBLNPEPERAP2ERAP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112812149-B | Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof | 首都医科大学 | 2022-04-29 | — | — | CN | claimed |
| CN-113105524-B | Polypeptide derivative copper complex, preparation method and application thereof, and anticancer drug | 首都医科大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-112812149-B | Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof | 首都医科大学 | 2022-04-29 | — | — | CN | disclosed |
| CN-112691081-B | Paclitaxel micelle based on (S) -2-decanoylamino-3- (1-naphthyl) propionyl-leucyl-valine | 首都医科大学 | 2022-04-22 | — | — | CN | disclosed |