Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR1 | Q92633 | 12/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21582362 | 1.00 | LPAR1 (0.54) | LPAR1CYP3A4OPRM1AKR1C1SIGMAR1 | |
| SCHEMBL30844723 | 0.87 | LPAR1 (0.53) | LPAR1CYP3A4OPRM1SIGMAR1 | |
| SCHEMBL23721552 | 0.87 | LPAR1 (0.53) | LPAR1CYP3A4OPRM1SIGMAR1 | |
| SCHEMBL21582272 | 0.84 | LPAR1 (0.52) | LPAR1CYP3A4AKR1C1 | |
| SCHEMBL29813497 | 0.84 | LPAR1 (0.52) | LPAR1CYP3A4AKR1C1 | |
| Hydrochloric Acid SCHEMBL21582553 | 0.83 | LPAR1 (0.51) | LPAR1CYP3A4AKR1C1 | |
| Hydrochloric Acid SCHEMBL29813329 | 0.83 | LPAR1 (0.51) | LPAR1CYP3A4AKR1C1 | |
| SCHEMBL25001077 | 0.81 | LPAR1 (0.53) | LPAR1CYP3A4AKR1C1 | |
| SCHEMBL25001523 | 0.80 | LPAR1 (0.41) | LPAR1CYP3A4AKR1C1 | |
| SCHEMBL30168354 | 0.80 | LPAR1 (0.41) | LPAR1CYP3A4AKR1C1 |
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-114026082-B | Pyridin-3-yl derivatives | 爱杜西亚药品有限公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-112236424-B | Alkoxy-substituted pyridinyl derivatives | 爱杜西亚药品有限公司 | 2024-03-15 | — | — | CN | disclosed |