Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 2/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HUWE1 | Q7Z6Z7 | 1/20 | 0.48 |
| ▸ | KHK | P50053 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10665472 | 0.87 | HTR2A (0.55) | HTR2ADRD3PDE4APDE4BPDE4C | |
| SCHEMBL10663654 | 0.86 | KHK (0.62) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL10663206 | 0.81 | ALDH1A1 (0.49) | HTR2ADRD3PDE4APDE4BPDE4C | |
| SCHEMBL11046408 | 0.81 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DHTT | |
| SCHEMBL8851335 | 0.80 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL10665582 | 0.79 | KDM4E (0.45) | HTR2ADRD3ACHEHTTALDH1A1 | |
| SCHEMBL10661032 | 0.79 | HTR2A (0.44) | HTR2ADRD3ACHEHTTALDH1A1 | |
| SCHEMBL10657965 | 0.77 | KHK (0.51) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL11101788 | 0.77 | PDE4A (0.54) | HTR2ADRD3PDE4APDE4BPDE4C | |
| SCHEMBL10661403 | 0.75 | ALDH1A1 (0.47) | HTTALDH1A1KDM4ELMNASMN1; SMN2 |
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 5 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-4690923-A | ANTITHROMBOTICS | KARL THOMAE GMBH (DE) | 1987-09-01 | — | — | 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 |