Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 1/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.42 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9709079 | 0.92 | PDE1A (0.43) | PDE1APDE1BPDE1CNPSR1TSHR | |
| SCHEMBL9708162 | 0.85 | RAB9A (0.42) | PDE1APDE1BPDE1CNPSR1TSHR | |
| SCHEMBL9708158 | 0.85 | ADORA3 (0.41) | PDE1APDE1BPDE1CADORA2AADORA2B | |
| SCHEMBL9708074 | 0.85 | ADORA1 (0.38) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL9708448 | 0.84 | ADORA3 (0.40) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL9708150 | 0.84 | AGTR1 (0.36) | PDE1APDE1BPDE1CALDH1A1ADORA2A | |
| SCHEMBL9707973 | 0.83 | ADORA1 (0.42) | NPSR1TSHRSMN1; SMN2LMNACASP1 | |
| SCHEMBL9707475 | 0.83 | ALOX15 (0.41) | NPSR1TSHRSMN1; SMN2HSD17B10HTT | |
| SCHEMBL9707553 | 0.83 | PDE1A (0.43) | PDE1APDE1BPDE1CNPSR1TSHR | |
| SCHEMBL9708090 | 0.83 | ADORA3 (0.39) | ADORA2AADORA3ADORA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |