Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.41 |
| ▸ | PDE5A | O76074 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708029 | 0.96 | ADORA3 (0.49) | KMT2AADORA3PDE5AADORA2AADORA2B | |
| SCHEMBL9708332 | 0.96 | PDE5A (0.46) | KMT2AADORA3AGTR1AGTR2PDE5A | |
| SCHEMBL9708002 | 0.96 | ADORA3 (0.49) | KMT2AADORA3PDE5AADORA2AADORA2B | |
| SCHEMBL9708043 | 0.95 | PDE5A (0.47) | KMT2AADORA3AGTR1AGTR2PDE5A | |
| SCHEMBL9708585 | 0.95 | PDE5A (0.46) | KMT2AADORA3AGTR1AGTR2PDE5A | |
| SCHEMBL9708354 | 0.95 | KMT2A (0.47) | KMT2AADORA3AGTR1AGTR2MAPK1 | |
| SCHEMBL9708212 | 0.95 | KMT2A (0.46) | KMT2AADORA3AGTR1AGTR2MAPK1 | |
| SCHEMBL9707831 | 0.94 | KMT2A (0.43) | KMT2AADORA3AGTR1AGTR2PDE5A | |
| SCHEMBL9707738 | 0.94 | KMT2A (0.43) | KMT2AADORA3AGTR1AGTR2PDE5A | |
| SCHEMBL9708427 | 0.94 | KMT2A (0.43) | KMT2AADORA3AGTR1AGTR2PDE5A |
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 |