Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP1 | O94782 | 3/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707725 | 0.91 | ALDH1A1 (0.40) | CXCL8NOD2NOD1ALDH1A1MAPT | |
| SCHEMBL9708377 | 0.90 | AGTR1 (0.43) | CXCL8NOD2NOD1ALDH1A1KDM4E | |
| SCHEMBL9707712 | 0.89 | KDM4E (0.40) | USP1CXCL8NOD2NOD1ALDH1A1 | |
| SCHEMBL9708926 | 0.88 | AGTR1 (0.44) | MEN1KMT2A | |
| SCHEMBL9708553 | 0.88 | PPARG (0.35) | — | |
| SCHEMBL9708834 | 0.88 | MEN1 (0.39) | CXCL8NOD2NOD1ALDH1A1MAPT | |
| SCHEMBL9708130 | 0.88 | CXCL8 (0.49) | CXCL8NOD2NOD1ALDH1A1MAPT | |
| SCHEMBL9708220 | 0.87 | USP1 (0.35) | USP1 | |
| SCHEMBL9708009 | 0.87 | CXCL8 (0.39) | USP1CXCL8NOD2NOD1ALDH1A1 | |
| SCHEMBL9708267 | 0.87 | AGTR1 (0.47) | — |
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 |