Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | GAPDH | P04406 | 1/20 | 0.44 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.44 |
| ▸ | HSPA8 | P11142 | 1/20 | 0.44 |
| ▸ | CD44 | P16070 | 1/20 | 0.44 |
| ▸ | MSN | P26038 | 1/20 | 0.44 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.44 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CTSV | O60911 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22123315 | 0.88 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL743844 | 0.78 | POLB (0.49) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL10608165 | 0.76 | HSP90AA1 (0.56) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL6363108 | 0.75 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL28255849 | 0.75 | HTT (0.53) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL260006 | 0.75 | ALDH1A1 (0.70) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL29226874 | 0.74 | MPO (0.47) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL29226876 | 0.74 | MPO (0.47) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL30313782 | 0.74 | KMT2A (0.58) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL27527312 | 0.74 | KMT2A (0.58) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2326652-A1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | Merck Sharp & Dohme Corp. (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010014516-A1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | MERCK & CO., INC. (US) | 2010-02-04 | — | — | WO | disclosed |