Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 4/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL13154633 | 0.69 | NOTUM (0.42) | CLK1DYRK1ATNFMAPK10HIPK2 | |
| SCHEMBL9275580 | 0.69 | CLK1 (0.35) | CLK1DYRK1ATNFMAPK10HIPK2 | |
| SCHEMBL29569821 | 0.69 | CLK1 (0.54) | CLK1DYRK1ATNFMAPK10HIPK2 | |
| SCHEMBL672509 | 0.69 | CLK1 (0.54) | CLK1DYRK1ATNFMAPK10HIPK2 | |
| SCHEMBL8121570 | 0.67 | GAA (0.32) | — | |
| SCHEMBL12920473 | 0.67 | CHRNB2 (0.31) | — | |
| SCHEMBL8216558 | 0.67 | CLK1 (0.39) | CLK1DYRK1ATNFMAPK10HIPK2 | |
| SCHEMBL26102745 | 0.63 | MAOA (0.37) | DYRK1AHIPK2 | |
| SCHEMBL29742542 | 0.62 | CDC7 (0.39) | CLK1DYRK1ATNFMAPK10HIPK2 | |
| SCHEMBL15051861 | 0.62 | CDC7 (0.39) | CLK1DYRK1ATNFMAPK10HIPK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4049659-A | Process for the preparation of 4-oxo-hexahydro-pyrazinoisoquinoline derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-20 | — | — | US | claimed |
| US-4049659-A | Process for the preparation of 4-oxo-hexahydro-pyrazinoisoquinoline derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-20 | — | — | US | disclosed |