Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 4/20 | 0.59 |
| ▸ | CTSK | P43235 | 4/20 | 0.59 |
| ▸ | CTSD | P07339 | 3/20 | 0.57 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.46 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.46 |
| ▸ | REN | P00797 | 2/20 | 0.46 |
| ▸ | KISS1R | Q969F8 | 1/20 | 0.44 |
| ▸ | IL1RN | P18510 | 1/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29535481 | 1.00 | CTSB (0.59) | CTSBCTSKCTSDPSMB5CASP3 | |
| SCHEMBL28563172 | 0.96 | CTSB (0.55) | CTSBCTSKCTSDPSMB5CASP3 | |
| SCHEMBL29603823 | 0.96 | CTSB (0.55) | CTSBCTSKCTSDPSMB5CASP3 | |
| SCHEMBL29535660 | 0.89 | CTSD (0.53) | CTSBCTSKCTSDPSMB5REN | |
| SCHEMBL28517814 | 0.89 | CTSD (0.53) | CTSBCTSKCTSDPSMB5REN | |
| SCHEMBL28560400 | 0.89 | CTSD (0.53) | CTSBCTSKCTSDPSMB5REN | |
| SCHEMBL28563734 | 0.89 | CTSD (0.53) | CTSBCTSKCTSDPSMB5REN | |
| SCHEMBL28525513 | 0.89 | PSMB5 (0.63) | CTSBCTSKCTSDPSMB5CAPN1 | |
| SCHEMBL28525512 | 0.89 | PSMB5 (0.63) | CTSBCTSKCTSDPSMB5CAPN1 | |
| SCHEMBL28517159 | 0.87 | IL1RN (0.60) | CTSBCTSKRENIL1RNERAP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| CN-113105524-A | Polypeptide derivative copper complex, preparation method and application thereof, and anticancer drug | 首都医科大学 | 2021-07-13 | — | — | CN | disclosed |
| CN-112691081-A | Paclitaxel micelle based on (S) -2-decanoylamino-3- (1-naphthyl) propionyl-leucyl-valine | 首都医科大学 | 2021-04-23 | — | — | CN | disclosed |
| CN-112279887-A | Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof | 首都医科大学 | 2021-01-29 | — | — | CN | disclosed |