Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18980128 | 0.95 | TLR7 (0.42) | TLR7NCF1TLR8DRD2DRD3 | |
| SCHEMBL29722232 | 0.95 | TLR7 (0.42) | TLR7NCF1TLR8DRD2DRD3 | |
| SCHEMBL18980466 | 0.95 | TLR7 (0.42) | TLR7NCF1TLR8DRD2DRD3 | |
| SCHEMBL18980130 | 0.95 | TLR7 (0.42) | TLR7NCF1TLR8DRD2DRD3 | |
| SCHEMBL18980127 | 0.95 | TLR7 (0.42) | TLR7NCF1TLR8DRD2DRD3 | |
| SCHEMBL23894300 | 0.95 | TLR7 (0.42) | TLR7NCF1TLR8DRD2DRD3 | |
| SCHEMBL18980465 | 0.95 | TLR7 (0.42) | TLR7NCF1TLR8DRD2DRD3 | |
| SCHEMBL18980695 | 0.90 | TLR7 (0.48) | TLR7NCF1TLR8SSTR4MEN1 | |
| SCHEMBL18980767 | 0.80 | TLR7 (0.40) | TLR7NCF1TLR8USP2KDM4E | |
| SCHEMBL18980379 | 0.80 | TLR7 (0.40) | TLR7NCF1TLR8USP2KDM4E |
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-108699032-B | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-113603675-A | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2021-11-05 | — | — | CN | disclosed |