Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 3/20 | 0.50 |
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | KRAS | P01116 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29603831 | 1.00 | FAAH (0.50) | FAAHCTSDPSMB5MMP2CTSB | |
| SCHEMBL28560400 | 0.95 | CTSD (0.53) | FAAHCTSDPSMB5MMP2CTSB | |
| SCHEMBL28563734 | 0.95 | CTSD (0.53) | FAAHCTSDPSMB5MMP2CTSB | |
| SCHEMBL28517814 | 0.95 | CTSD (0.53) | FAAHCTSDPSMB5MMP2CTSB | |
| SCHEMBL29535660 | 0.95 | CTSD (0.53) | FAAHCTSDPSMB5MMP2CTSB | |
| SCHEMBL28563172 | 0.90 | CTSB (0.55) | FAAHCTSDPSMB5MMP2CTSB | |
| SCHEMBL29603823 | 0.90 | CTSB (0.55) | FAAHCTSDPSMB5MMP2CTSB | |
| SCHEMBL19586109 | 0.88 | PSMB5 (0.56) | FAAHCTSDPSMB5MMP2MMP9 | |
| SCHEMBL21772503 | 0.88 | PSMB5 (0.56) | FAAHCTSDPSMB5MMP2MMP9 | |
| SCHEMBL29604026 | 0.86 | FAAH (0.48) | FAAHCTSDPSMB5MMP2CTSB |
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-112812149-A | Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof | 首都医科大学 | 2021-05-18 | — | — | CN | claimed |
| 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-112812149-A | Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof | 首都医科大学 | 2021-05-18 | — | — | CN | disclosed |