Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR2 | O60603 | 6/20 | 0.51 |
| ▸ | TNF | P01375 | 2/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17020412 | 0.92 | TLR2 (0.47) | TLR2TNFCASP3KMT2A | |
| SCHEMBL30229906 | 0.90 | TLR2 (0.51) | TLR2TNFMDM4TP53CASP3 | |
| SCHEMBL16327986 | 0.90 | TLR2 (0.59) | TLR2TNF | |
| SCHEMBL29907904 | 0.89 | CASP3 (0.55) | TLR2TNFMDM4TP53CASP3 | |
| SCHEMBL29738269 | 0.88 | MDM4 (0.50) | TLR2MDM4TP53CASP3KMT2A | |
| SCHEMBL27353250 | 0.88 | TLR2 (0.59) | TLR2TNF | |
| SCHEMBL7713440 | 0.87 | TLR2 (0.57) | TLR2TNFMDM4TP53CASP3 | |
| SCHEMBL30434908 | 0.87 | TLR2 (0.57) | TLR2TNFMDM4TP53CASP3 | |
| SCHEMBL12304785 | 0.87 | TLR2 (0.49) | TLR2TNFMDM4TP53CASP3 | |
| SCHEMBL30954537 | 0.86 | TLR2 (0.49) | TLR2CASP3KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118561953-A | Macrocyclic alkynyl thioether peptide compound and preparation method and application thereof | 杭州市西溪医院 | 2024-08-30 | — | — | CN | claimed |
| CN-118561953-A | Macrocyclic alkynyl thioether peptide compound and preparation method and application thereof | 杭州市西溪医院 | 2024-08-30 | — | — | CN | disclosed |