Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 6/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | UGCG | Q16739 | 1/20 | 0.32 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9156816 | 1.00 | GAA (0.35) | GAAMAPTPTGS2APLNRGRIA2 | |
| SCHEMBL9157491 | 0.99 | PTGS2 (0.35) | GAAMAPTPTGS2APLNRGRIA2 | |
| SCHEMBL9155759 | 0.95 | PTGS2 (0.35) | GAAPTGS2APLNRGRIA2KCNH2 | |
| SCHEMBL9158474 | 0.90 | PTGS2 (0.36) | PTGS2APLNRGRIA2KCNH2MMP2 | |
| SCHEMBL9154581 | 0.86 | PSEN1 (0.38) | GAAMAPTPTGS2 | |
| SCHEMBL9158482 | 0.86 | PSEN1 (0.38) | GAAMAPTPTGS2 | |
| SCHEMBL9157702 | 0.86 | GAA (0.35) | GAAMAPTTP53CYP2A6ACACB | |
| SCHEMBL9160035 | 0.86 | GAA (0.35) | GAAMAPTTP53CYP2A6ACACB | |
| SCHEMBL8774654 | 0.85 | GAA (0.33) | GAAMAPTPTGS2 | |
| SCHEMBL8774698 | 0.85 | GAA (0.33) | GAAMAPTPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |