Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PDE9A | O76083 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27388577 | 0.88 | PTGS2 (0.53) | KDM4EALDH1A1DAOKIF11PTGS2 | |
| SCHEMBL27420343 | 0.88 | KDM4E (0.46) | KDM4EDAORECQLKIF11PTGS2 | |
| SCHEMBL9312351 | 0.86 | DAO (0.44) | KDM4EDAORECQLKIF11PTGS2 | |
| SCHEMBL9308787 | 0.85 | PARP1 (0.48) | KDM4EDAORECQLKIF11PTGS2 | |
| SCHEMBL27410857 | 0.85 | DAO (0.43) | KDM4EDAORECQLKIF11PTGS2 | |
| SCHEMBL9308464 | 0.85 | KDM4E (0.45) | KDM4EALDH1A1DAOKIF11PTGS2 | |
| SCHEMBL27532886 | 0.84 | KIF11 (0.50) | KDM4EALDH1A1DAORECQLKIF11 | |
| SCHEMBL9310287 | 0.84 | KDM4E (0.53) | KDM4EALDH1A1DAORECQLKIF11 | |
| SCHEMBL27410225 | 0.83 | DAO (0.49) | KDM4EALDH1A1DAORECQLKIF11 | |
| SCHEMBL27476463 | 0.83 | DAO (0.41) | KDM4EDAOKIF11PTGS2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5371226-A | Hypotensive agents | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-12-06 | — | — | US | disclosed |
| CN-1077192-A | The 2-oxoquinoline derivatives | MERCK PATENT GMBH (DE) | 1993-10-13 | — | — | CN | disclosed |
| EP-0561252-A1 | 2-Oxoquinoline derivatives as angiotensin II antagonists | MERCK PATENT GmbH (DE) | 1993-09-22 | — | — | EP | disclosed |