Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 10/20 | 0.38 |
| ▸ | HTR1A | P08908 | 7/20 | 0.37 |
| ▸ | HTR3A | P46098 | 7/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL10665072 | 0.90 | KHK (0.34) | KHKHTR2CPDE4APDE4BPDE4C | |
| SCHEMBL10660268 | 0.90 | HTR3A (0.37) | KHKHTR1AHTR3ACYP1A2CYP3A4 | |
| SCHEMBL10666739 | 0.90 | HTT (0.36) | KHKHTR2CPDE4APDE4BPDE4C | |
| SCHEMBL10664356 | 0.90 | KHK (0.39) | KHKHTR1AHTR3AHTR2CPDE4A | |
| SCHEMBL10764730 | 0.90 | HTR3A (0.39) | KHKHTR1AHTR3ACYP1A2CYP3A4 | |
| SCHEMBL10666761 | 0.86 | STK4 (0.41) | KHKHTR1AHTR3ACYP1A2CYP3A4 | |
| SCHEMBL10663445 | 0.86 | NPC1 (0.38) | KHKHTR2CPDE4APDE4BPDE4C | |
| SCHEMBL10663555 | 0.85 | KHK (0.40) | KHKHTR2CPDE4APDE4BPDE4C | |
| SCHEMBL10663182 | 0.83 | LMNA (0.34) | HTR1A | |
| SCHEMBL10665858 | 0.82 | KHK (0.36) | KHKHTR2CPDE4APDE4BPDE4C |
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 |