Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21895862 | 1.00 | CASP1 (0.40) | CASP1CTSGCMA1FAAHSMN1; SMN2 | |
| SCHEMBL21895861 | 0.94 | CTSS (0.43) | CASP1CTSGCMA1FAAHSMN1; SMN2 | |
| SCHEMBL21895863 | 0.94 | CTSS (0.43) | CASP1CTSGCMA1FAAHSMN1; SMN2 | |
| SCHEMBL7074221 | 0.87 | ACE (0.47) | CTSLCTSS | |
| SCHEMBL7074223 | 0.87 | ACE (0.47) | CTSLCTSS | |
| SCHEMBL15083124 | 0.86 | CYP1A2 (0.36) | CASP1FAAHCTSLCTSS | |
| SCHEMBL16287223 | 0.86 | CASP1 (0.41) | CASP1CTSGCMA1FAAHSMN1; SMN2 | |
| SCHEMBL16287221 | 0.86 | CASP1 (0.41) | CASP1CTSGCMA1FAAHSMN1; SMN2 | |
| SCHEMBL16289502 | 0.86 | CYP1A2 (0.36) | CASP1FAAHCTSLCTSS | |
| SCHEMBL16289204 | 0.83 | CASP1 (0.33) | CASP1CTSLCTSS |
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-118256591-A | Cyclic peptide compound having high membrane permeability and library comprising same | 中外制药株式会社 | 2024-06-28 | — | — | CN | disclosed |
| CN-110869544-B | Cyclic peptide compound having high membrane permeability and library comprising same | 中外制药株式会社 | 2024-03-08 | — | — | CN | disclosed |
| CN-110869544-A | Cyclic peptide compound having high membrane permeability and library containing same | 中外制药株式会社 | 2020-03-06 | — | — | CN | disclosed |