Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11026067 | 0.86 | NPC1 (0.31) | ALDH1A1CYP2D6CYP2C19CDK1 | |
| SCHEMBL11026806 | 0.85 | HRH4 (0.38) | HTTALDH1A1HPGDLMNATSHR | |
| SCHEMBL11029550 | 0.85 | PDGFRB (0.34) | PDE5AHTTKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL11023760 | 0.85 | KIT (0.34) | HTTALDH1A1HPGDLMNATSHR | |
| SCHEMBL11028075 | 0.85 | HRH4 (0.39) | HTTALDH1A1HPGDLMNATSHR | |
| SCHEMBL11026793 | 0.84 | ALDH1A1 (0.43) | HTTHSD17B10ALDH1A1HPGDLMNA | |
| SCHEMBL11044328 | 0.84 | HRH4 (0.40) | PDE5AHTTKDM4EALDH1A1HPGD | |
| SCHEMBL11312367 | 0.83 | ACACB (0.35) | HTTALDH1A1HPGDLMNATSHR | |
| SCHEMBL10968464 | 0.83 | PDE5A (0.48) | PDE5AHTTKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL11025913 | 0.80 | SLC29A1 (0.33) | PDE5AKDM4EHSD17B10ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0055444-B1 | TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1985-03-20 | — | — | EP | disclosed |
| US-4478833-A | ANTICOAGULANTS | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-23 | — | — | US | disclosed |
| EP-0055444-A2 | Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1982-07-07 | — | — | EP | disclosed |