Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | HUWE1 | Q7Z6Z7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ADK | P55263 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10659701 | 0.89 | PDE4A (0.50) | ACHEAPPHUWE1LMNAEGFR | |
| SCHEMBL8851160 | 0.88 | ADK (0.54) | ACHENPSR1TSHRCYP2D6CYP2C19 | |
| SCHEMBL10660880 | 0.86 | NPSR1 (0.43) | NPSR1TSHRCYP2D6CYP2C19CYP2C9 | |
| SCHEMBL11048555 | 0.85 | ACHE (0.47) | ACHENPSR1TMIGD3ADORA2AADORA1 | |
| SCHEMBL11100844 | 0.83 | KHK (0.51) | ACHEPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8851152 | 0.82 | ADK (0.55) | ACHETMIGD3ADORA2AADORA1ADORA2B | |
| SCHEMBL10664114 | 0.80 | ADK (0.43) | NPSR1TSHRTMIGD3ADORA2AADORA1 | |
| SCHEMBL10659798 | 0.80 | ACHE (0.38) | ACHENPSR1TSHRCYP2C19CYP2C9 | |
| SCHEMBL10972136 | 0.79 | ADK (0.42) | NPSR1TSHRCYP2D6CYP2C19CYP2C9 | |
| SCHEMBL11045282 | 0.78 | DAPK1 (0.44) | ACHENPSR1TSHRCYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |