Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | TLR2 | O60603 | 4/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27041503 | 1.00 | PTPN1 (0.40) | PTPN1TLR2CTSLCTSBMDM2 | |
| SCHEMBL30759425 | 0.92 | CTSL (0.38) | PTPN1TLR2CTSLCTSBMDM2 | |
| SCHEMBL27041582 | 0.91 | TLR2 (0.44) | TLR2MDM2HDAC1HDAC2CTSK | |
| SCHEMBL27041594 | 0.91 | TLR2 (0.44) | TLR2MDM2HDAC1HDAC2CTSK | |
| SCHEMBL27041572 | 0.86 | PTPN1 (0.32) | PTPN1TLR2CTSLCTSBMDM2 | |
| SCHEMBL27041547 | 0.86 | PTPN1 (0.32) | PTPN1TLR2CTSLCTSBMDM2 | |
| SCHEMBL27041543 | 0.84 | TLR2 (0.49) | PTPN1TLR2CTSLCTSBMDM2 | |
| SCHEMBL27041569 | 0.84 | TLR2 (0.49) | PTPN1TLR2CTSLCTSBMDM2 | |
| SCHEMBL30517400 | 0.83 | TLR2 (0.48) | TLR2MDM2HDAC1HDAC2 | |
| SCHEMBL30759404 | 0.83 | MDM2 (0.42) | TLR2MDM2HDAC1HDAC2CTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024020159-A1 | MACROCYCLIC PEPTIDES TARGETING KRAS | MERCK SHARP & DOHME LLC (US) | 2024-01-25 | — | — | WO | disclosed |