Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Selgantolimod. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 known ✓ | Q9NR97 | 15/20 | 0.98 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Selgantolimod SCHEMBL18109719 | 0.99 | TLR8 (1.00) | TLR8TLR7KCNH2NLRP3 | |
| Selgantolimod SCHEMBL31141439 | 0.99 | TLR8 (1.00) | TLR8TLR7KCNH2NLRP3 | |
| Selgantolimod SCHEMBL18109408 | 0.99 | TLR8 (1.00) | TLR8TLR7KCNH2NLRP3 | |
| Selgantolimod SCHEMBL18109405 | 0.99 | TLR8 (1.00) | TLR8TLR7KCNH2NLRP3 | |
| Selgantolimod SCHEMBL29368858 | 0.99 | TLR8 (1.00) | TLR8TLR7KCNH2NLRP3 | |
| Selgantolimod SCHEMBL22613603 | 0.98 | TLR8 (0.98) | TLR8TLR7KCNH2NLRP3 | |
| Selgantolimod SCHEMBL22558518 | 0.98 | TLR8 (0.98) | TLR8TLR7KCNH2NLRP3 | |
| Selgantolimod SCHEMBL22558375 | 0.98 | TLR8 (0.98) | TLR8TLR7KCNH2NLRP3 | |
| SCHEMBL18109386 | 0.96 | TLR8 (0.94) | TLR8TLR7KCNH2NLRP3 | |
| SCHEMBL18109383 | 0.96 | TLR8 (0.94) | TLR8TLR7KCNH2NLRP3 |
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-113906023-A | Solid forms of a TOLL-like receptor modulator | 吉利德科学公司 | 2022-01-07 | — | — | CN | disclosed |