Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.47 |
| ▸ | ATP4A | P20648 | 1/20 | 0.40 |
| ▸ | ATP4B | P51164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | NR5A1 | Q13285 | 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 | |
|---|---|---|---|---|
| SCHEMBL6017576 | 0.77 | CYP19A1 (0.49) | CYP19A1ATP4AATP4BNPC1RAB9A | |
| SCHEMBL14996228 | 0.75 | ATP4A (0.53) | CYP19A1ATP4AATP4BNPC1RAB9A | |
| SCHEMBL13201562 | 0.74 | ATP4A (0.53) | CYP19A1ATP4AATP4B | |
| SCHEMBL14189706 | 0.73 | ATP4A (0.52) | CYP19A1ATP4AATP4BMEN1KMT2A | |
| SCHEMBL763549 | 0.71 | QPCT (0.51) | CYP19A1ATP4AATP4BRAB9ATP53 | |
| SCHEMBL13617692 | 0.69 | ATP4A (0.50) | CYP19A1ATP4AATP4BMEN1KMT2A | |
| SCHEMBL765017 | 0.69 | QPCT (0.56) | CYP19A1ATP4AATP4BRAB9ATP53 | |
| SCHEMBL22397927 | 0.69 | MEN1 (0.55) | CYP19A1ATP4AATP4BNPC1RAB9A | |
| SCHEMBL16358259 | 0.68 | ATP4A (0.48) | CYP19A1ATP4AATP4B | |
| SCHEMBL13246360 | 0.68 | QPCT (0.50) | CYP19A1ATP4AATP4BNPC1RAB9A |
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-1725551-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095393-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |