Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 3/20 | 0.44 |
| ▸ | PDE4A | P27815 | 3/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PARG | Q86W56 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | YTHDF2 | Q9Y5A9 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4811599 | 0.94 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1545986 | 0.87 | HPGD (0.53) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7026734 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4801216 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4803221 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5397566 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1546588 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7029839 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7030994 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL17582653 | 0.77 | ALDH1A1 (0.66) | ALDH1A1CYP3A4MEN1KMT2APOLB |
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 |