Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 4/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | ACACA | Q13085 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.32 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9155759 | 0.93 | PTGS2 (0.35) | PTGS2GRIA2KCNH2CYP2E1CYP2A6 | |
| SCHEMBL9157491 | 0.91 | PTGS2 (0.35) | PTGS2GRIA2KCNH2CYP2E1CYP2A6 | |
| SCHEMBL9158940 | 0.90 | GAA (0.35) | PTGS2GRIA2KCNH2CYP2E1CYP2A6 | |
| SCHEMBL9156816 | 0.90 | GAA (0.35) | PTGS2GRIA2KCNH2CYP2E1CYP2A6 | |
| SCHEMBL9158975 | 0.90 | PTGS2 (0.37) | PTGS2GRIA2KCNH2CYP2E1CYP2A6 | |
| SCHEMBL9159138 | 0.86 | AKR1C3 (0.37) | CYP2A6ACACBACACA | |
| SCHEMBL9152394 | 0.85 | TRPV3 (0.41) | PTGS2P2RX7 | |
| SCHEMBL8774394 | 0.84 | GRIN2B (0.33) | PTGS2ACACB | |
| SCHEMBL9156349 | 0.80 | CYP2C9 (0.48) | GRIA2KCNH2CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL9158479 | 0.80 | MAOB (0.37) | GRIA2KCNH2CYP2E1CYP2A6CYP2B6 |
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 |