Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.57 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 5/20 | 0.56 |
| ▸ | THRA | P10827 | 6/20 | 0.54 |
| ▸ | THRB | P10828 | 6/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5711597 | 1.00 | HSP90AB1 (0.57) | HSP90AB1NR5A1MAOBTHRATHRB | |
| SCHEMBL13856728 | 0.90 | HTT (0.60) | NR5A1MAOBTHRATHRBHTT | |
| SCHEMBL4331186 | 0.88 | NR5A1 (0.60) | NR5A1MAOBTHRATHRBTP53 | |
| SCHEMBL30634381 | 0.88 | NR5A1 (0.60) | NR5A1MAOBTHRATHRBTP53 | |
| SCHEMBL9005866 | 0.88 | NR5A1 (0.60) | NR5A1MAOBTHRATHRBTP53 | |
| SCHEMBL5664514 | 0.88 | NR5A1 (0.60) | NR5A1MAOBTHRATHRBTP53 | |
| SCHEMBL27979074 | 0.87 | HSP90AB1 (0.58) | HSP90AB1MAOB | |
| SCHEMBL1373719 | 0.87 | PTPN11 (0.63) | NR5A1MAOBTP53TSHRPTPN11 | |
| SCHEMBL3294967 | 0.87 | MAOB (0.73) | NR5A1MAOB | |
| SCHEMBL21064541 | 0.87 | MAOB (0.73) | NR5A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1566175-B1 | Topical preparation comprising at least one aryloxime and bisabolol | MERCK PATENT GMBH (DE) | 2006-10-25 | — | — | EP | claimed |