Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 5/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | USP1 | O94782 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9708641 | 0.91 | ADORA2B (0.42) | ADORA2AADORA2BADORA1AGTR1AGTR2 | |
| SCHEMBL9707572 | 0.91 | AGTR1 (0.41) | KDM4EALDH1A1PKMDCTPP1AGTR1 | |
| SCHEMBL9707499 | 0.91 | MEN1 (0.39) | ADORA2AADORA2BADORA1AGTR1AGTR2 | |
| SCHEMBL9708254 | 0.90 | AGTR1 (0.43) | AGTR1AGTR2PPARG | |
| SCHEMBL9708103 | 0.90 | ADORA2B (0.40) | ADORA2AADORA2BADORA1AGTR1AGTR2 | |
| SCHEMBL9707302 | 0.89 | GPR18 (0.38) | KDM4EAGTR1AGTR2PPARG | |
| SCHEMBL9707753 | 0.89 | AGTR1 (0.43) | AGTR1AGTR2PPARGKMT2A | |
| SCHEMBL9707446 | 0.89 | AGTR1 (0.47) | AGTR1AGTR2PPARG | |
| SCHEMBL9708519 | 0.88 | DCTPP1 (0.42) | KDM4EALDH1A1PKMDCTPP1AGTR1 | |
| SCHEMBL9708399 | 0.88 | PPARG (0.45) | AGTR1AGTR2PPARG |
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 |