Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23723956 | 0.85 | ADK (0.36) | KCNH2DHFR | |
| SCHEMBL2727584 | 0.84 | PTGS2 (0.34) | PTGS2KCNH2CHRM1CYP3A4 | |
| SCHEMBL2726331 | 0.84 | PTGS2 (0.34) | PTGS2KCNH2CHRM1CYP3A4 | |
| SCHEMBL14840191 | 0.82 | THRA (0.34) | PTGS2 | |
| SCHEMBL17795984 | 0.81 | TSHR (0.36) | PTGS2 | |
| SCHEMBL15052402 | 0.80 | GPR3 (0.36) | PTGS2KCNH2CHRM1GPR84TDP1 | |
| SCHEMBL15871311 | 0.80 | PTGS2 (0.35) | PTGS2GPR84TDP1L3MBTL1CYP3A4 | |
| SCHEMBL22400747 | 0.79 | PTGS2 (0.31) | PTGS2 | |
| SCHEMBL2728502 | 0.79 | PTGS2 (0.31) | PTGS2 | |
| SCHEMBL2726877 | 0.79 | RARB (0.31) | PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2742080-B1 | PROCESS FOR THE PREPARATION OF POLYMERS CONTAINING BENZOHETERO [1, 3]DIAZOLE UNITS | ENI SPA (IT) | 2020-06-17 | — | — | EP | disclosed |