Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 5/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | TPH1 | P17752 | 2/20 | 0.34 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9707838 | 0.92 | AGTR1 (0.43) | ALDH1A1KDM4EHPGDGAAMAPT | |
| SCHEMBL9707565 | 0.90 | AGTR1 (0.44) | MEN1KMT2AAGTR1AGTR2PPARG | |
| SCHEMBL9707537 | 0.90 | AGTR1 (0.36) | AGTR1AGTR2PPARG | |
| SCHEMBL9708834 | 0.89 | MEN1 (0.39) | ALDH1A1KDM4EHPGDGAAMAPT | |
| SCHEMBL9707592 | 0.89 | AGTR1 (0.47) | AGTR1AGTR2PPARG | |
| SCHEMBL9707669 | 0.89 | PPARG (0.36) | AGTR1AGTR2PPARG | |
| SCHEMBL9708619 | 0.89 | ALOX15 (0.39) | ALDH1A1KDM4EGAAMAPTHTT | |
| SCHEMBL9707480 | 0.88 | KDM4E (0.42) | ALDH1A1KDM4EHPGDGAAMAPT | |
| SCHEMBL9708451 | 0.88 | PPARG (0.45) | AGTR1AGTR2PPARG | |
| SCHEMBL9708042 | 0.88 | AGTR1 (0.36) | AGTR1AGTR2 |
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 |