Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.37 |
| ▸ | CDK4 | P11802 | 3/20 | 0.37 |
| ▸ | CCND1 | P24385 | 3/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL19924202 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL19924198 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL30076206 | 0.87 | TLR8 (0.52) | CYP2D6APPTLR8TLR7 | |
| SCHEMBL19924169 | 0.87 | TLR8 (0.52) | CYP2D6APPTLR8TLR7 | |
| SCHEMBL19924171 | 0.87 | TLR8 (0.52) | CYP2D6APPTLR8TLR7 | |
| SCHEMBL19924282 | 0.87 | LATS1 (0.43) | — | |
| SCHEMBL19924283 | 0.87 | LATS1 (0.43) | — | |
| SCHEMBL30076142 | 0.86 | TLR8 (0.41) | TLR8TLR7ACHE | |
| SCHEMBL19924208 | 0.86 | TLR8 (0.41) | TLR8TLR7ACHE | |
| SCHEMBL19924206 | 0.86 | TLR8 (0.41) | TLR8TLR7ACHE |
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-109923106-B | toll-like receptor modulator compounds | 吉利德科学公司 | 2022-09-13 | — | — | CN | disclosed |