Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 6/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707639 | 0.98 | AGTR1 (0.40) | AGTR1AGTR2KMT2AADORA3HTT | |
| SCHEMBL9707900 | 0.94 | AGTR1 (0.43) | AGTR1AGTR2KMT2AADORA3PPARG | |
| SCHEMBL9707642 | 0.94 | AGTR1 (0.43) | AGTR1AGTR2KMT2AADORA3ADORA2A | |
| SCHEMBL9708693 | 0.92 | AGTR1 (0.41) | AGTR1AGTR2KMT2AALDH1A1PPARG | |
| SCHEMBL9707809 | 0.92 | AGTR1 (0.43) | AGTR1AGTR2KMT2AADORA3ADORA2A | |
| SCHEMBL9707542 | 0.92 | AGTR1 (0.43) | AGTR1AGTR2KMT2APPARG | |
| SCHEMBL9708108 | 0.92 | AGTR1 (0.44) | AGTR1AGTR2KMT2AADORA3ADORA2A | |
| SCHEMBL9708139 | 0.92 | TSHR (0.42) | AGTR1AGTR2KMT2AHTTALDH1A1 | |
| SCHEMBL9707682 | 0.91 | AGTR1 (0.46) | AGTR1AGTR2PPARG | |
| SCHEMBL9708153 | 0.91 | ADORA3 (0.40) | ADORA3ADORA2AADORA2B |
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 |