Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | KHK | P50053 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | EEF2K | O00418 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10659879 | 0.83 | KHK (0.47) | KDM4EKHKPIK3CDPOLBHTR2C | |
| SCHEMBL10663374 | 0.82 | KMT2A (0.42) | KDM4EKHKPIK3CAPIK3CDTSHR | |
| SCHEMBL10660874 | 0.82 | TSHR (0.42) | KDM4EKHKPIK3CAPIK3CDPIK3CB | |
| SCHEMBL10661157 | 0.81 | TSHR (0.44) | KDM4EGAAKHKPIK3CAPIK3CD | |
| SCHEMBL10657925 | 0.81 | SMN1; SMN2 (0.47) | KDM4EGAAKHKPIK3CAPIK3CB | |
| SCHEMBL9350877 | 0.81 | KDM4E (0.51) | KDM4EGAAPIK3CATSHRPIK3R1 | |
| SCHEMBL10665420 | 0.80 | TSHR (0.41) | KDM4EPIK3CAPIK3CDPIK3CBTSHR | |
| SCHEMBL10661270 | 0.79 | KMT2A (0.40) | KDM4EGAAKHKPIK3CAPIK3CD | |
| SCHEMBL10663939 | 0.79 | KHK (0.44) | KDM4EGAAKHKPIK3CAPIK3CD | |
| SCHEMBL10658814 | 0.78 | POLB (0.47) | KDM4EGAAKHKPIK3CAPIK3CD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4728646-A | ANTITHROMBOTICS | DR. KARL THOMAE GMBH (DE) | 1988-03-01 | — | — | US | disclosed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | disclosed |
| EP-0023559-B1 | 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-09-19 | — | — | EP | disclosed |
| EP-0023559-A1 | 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |