Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1RN | P18510 | 4/20 | 0.60 |
| ▸ | ERAP2 | Q6P179 | 4/20 | 0.60 |
| ▸ | ERAP1 | Q9NZ08 | 4/20 | 0.60 |
| ▸ | BMP1 | P13497 | 1/20 | 0.58 |
| ▸ | CTSB | P07858 | 2/20 | 0.55 |
| ▸ | CTSK | P43235 | 2/20 | 0.55 |
| ▸ | REN | P00797 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 5/20 | 0.54 |
| ▸ | MMP2 | P08253 | 4/20 | 0.54 |
| ▸ | MMP1 | P03956 | 2/20 | 0.54 |
| ▸ | MMP9 | P14780 | 3/20 | 0.53 |
| ▸ | CCKBR | P32239 | 1/20 | 0.53 |
| ▸ | NMBR | P28336 | 1/20 | 0.53 |
| ▸ | MMP7 | P09237 | 1/20 | 0.52 |
| ▸ | ECE1 | P42892 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28517158 | 1.00 | IL1RN (0.60) | IL1RNERAP2ERAP1BMP1CTSB | |
| SCHEMBL28518121 | 0.90 | MMP2 (0.59) | ERAP2MMP8MMP2MMP1MMP9 | |
| SCHEMBL28518120 | 0.90 | MMP2 (0.59) | ERAP2MMP8MMP2MMP1MMP9 | |
| SCHEMBL28525512 | 0.87 | PSMB5 (0.63) | CTSBCTSK | |
| SCHEMBL28525513 | 0.87 | PSMB5 (0.63) | CTSBCTSK | |
| SCHEMBL29535481 | 0.87 | CTSB (0.59) | IL1RNERAP2ERAP1CTSBCTSK | |
| SCHEMBL28523691 | 0.87 | CTSB (0.59) | IL1RNERAP2ERAP1CTSBCTSK | |
| SCHEMBL29640305 | 0.85 | ECE1 (0.65) | IL1RNERAP2ERAP1MMP8MMP2 | |
| SCHEMBL17244052 | 0.85 | ECE1 (0.65) | IL1RNERAP2ERAP1MMP8MMP2 | |
| SCHEMBL30496932 | 0.85 | ECE1 (0.65) | IL1RNERAP2ERAP1MMP8MMP2 |
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-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 |