Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 5/20 | 0.48 |
| ▸ | AGTR2 | P50052 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | TPH1 | P17752 | 2/20 | 0.46 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708417 | 0.95 | AGTR2 (0.53) | AGTR1AGTR2MEN1KMT2APPARG | |
| SCHEMBL9708081 | 0.95 | AGTR1 (0.51) | AGTR1AGTR2MEN1KMT2ATPH1 | |
| SCHEMBL9708525 | 0.94 | TPH2 (0.47) | AGTR1AGTR2MEN1KMT2ATPH1 | |
| SCHEMBL9708313 | 0.90 | MEN1 (0.44) | AGTR1AGTR2MEN1KMT2ATPH1 | |
| SCHEMBL9708124 | 0.90 | MEN1 (0.55) | AGTR1AGTR2MEN1KMT2ATPH1 | |
| SCHEMBL9707697 | 0.89 | AGTR1 (0.49) | AGTR1AGTR2KMT2APPARG | |
| SCHEMBL9708462 | 0.89 | AGTR1 (0.49) | AGTR1AGTR2PPARG | |
| SCHEMBL9707246 | 0.89 | MEN1 (0.46) | AGTR1AGTR2MEN1KMT2ATPH1 | |
| SCHEMBL9707811 | 0.89 | TPH1 (0.51) | AGTR1AGTR2MEN1KMT2ATPH1 | |
| SCHEMBL9707568 | 0.88 | ALDH1A1 (0.48) | AGTR1AGTR2MEN1KMT2ATPH1 |
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 |