Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 5/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | USP1 | O94782 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707755 | 0.94 | MAPT (0.38) | MAPTCRHBPCRHR2NPSR1MCOLN3 | |
| SCHEMBL9708757 | 0.93 | ADORA3 (0.41) | AGTR1AGTR2ADORA3ADORA1 | |
| SCHEMBL9708556 | 0.93 | ADORA3 (0.42) | MAPTCRHBPCRHR2NPSR1MCOLN3 | |
| SCHEMBL9708609 | 0.91 | POLB (0.44) | MAPTCRHBPCRHR2NPSR1MCOLN3 | |
| SCHEMBL9707906 | 0.91 | AGTR1 (0.38) | AGTR1AGTR2USP1ADORA3ADORA1 | |
| SCHEMBL9708047 | 0.91 | USP1 (0.39) | AGTR1AGTR2USP1ADORA3TSHR | |
| SCHEMBL9707519 | 0.91 | ADORA3 (0.39) | AGTR1AGTR2USP1ADORA3ADORA1 | |
| SCHEMBL9707660 | 0.91 | USP1 (0.39) | MAPTNPSR1AGTR1AGTR2POLB | |
| SCHEMBL9708160 | 0.90 | AGTR1 (0.37) | AGTR1AGTR2USP1 | |
| SCHEMBL9707502 | 0.90 | ADORA1 (0.42) | MAPTCRHBPCRHR2NPSR1MCOLN3 |
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 |