Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28179804 | 0.82 | HSP90AA1 (0.36) | — | |
| SCHEMBL163433 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL9425516 | 0.79 | — | — | |
| Isoxazole SCHEMBL28742054 | 0.76 | PARP1 (0.62) | PARP1 | |
| Pyrimidine SCHEMBL28940749 | 0.74 | HSP90AA1 (0.34) | — | |
| Isoxazole SCHEMBL27586002 | 0.74 | — | — | |
| Isoxazole SCHEMBL28926974 | 0.74 | — | — | |
| Isoxazole SCHEMBL1318 | 0.74 | — | — | |
| Isoxazole SCHEMBL2679369 | 0.74 | PARP1 (1.00) | PARP1 | |
| Isoxazole SCHEMBL393230 | 0.74 | — | — |
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-114599641-A | Cyclobutylcarboxylic acids as LPA antagonists | 百时美施贵宝公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-113473985-A | Cyclopentanoic acid as LPA antagonist | 百时美施贵宝公司 | 2021-10-01 | — | — | CN | disclosed |