Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 6/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | UGCG | Q16739 | 1/20 | 0.31 |
| ▸ | GBA2 | Q9HCG7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9157491 | 0.96 | PTGS2 (0.35) | PTGS2APLNRGRIA2KCNH2GAA | |
| SCHEMBL9156816 | 0.95 | GAA (0.35) | PTGS2APLNRGRIA2KCNH2GAA | |
| SCHEMBL9158940 | 0.95 | GAA (0.35) | PTGS2APLNRGRIA2KCNH2GAA | |
| SCHEMBL9158474 | 0.93 | PTGS2 (0.36) | PTGS2APLNRGRIA2KCNH2MMP2 | |
| SCHEMBL9158975 | 0.87 | PTGS2 (0.37) | PTGS2APLNRGRIA2KCNH2MMP2 | |
| SCHEMBL9161171 | 0.86 | PTGS2 (0.38) | PTGS2 | |
| SCHEMBL9155419 | 0.85 | AKR1C3 (0.35) | MEN1GAAMAPK1KMT2ACYP2A6 | |
| SCHEMBL8775100 | 0.85 | ESR2 (0.33) | PTGS2MEN1GAAMAPK1KMT2A | |
| SCHEMBL9874769 | 0.83 | AKR1C3 (0.34) | MEN1GAAMAPK1KMT2ACYP2A6 | |
| SCHEMBL9155828 | 0.82 | PTGS2 (0.38) | 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 3 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 |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |