Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 10/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9707557 | 0.91 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDTHRBHTT | |
| SCHEMBL9707767 | 0.90 | MEN1 (0.50) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL9707498 | 0.90 | MEN1 (0.46) | ALDH1A1KDM4EHPGDTHRBHTT | |
| SCHEMBL9707484 | 0.89 | KDM4E (0.49) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL9708184 | 0.88 | MEN1 (0.47) | ALDH1A1KDM4EHPGDTHRBMEN1 | |
| SCHEMBL9707732 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL9708617 | 0.88 | MEN1 (0.42) | ALDH1A1KDM4EHPGDTHRBHTT | |
| SCHEMBL9708366 | 0.88 | BRAF (0.48) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL9707854 | 0.87 | AGTR1 (0.48) | MEN1KMT2A | |
| SCHEMBL9707482 | 0.86 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDHTTMAPT |
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 |