Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14982984 | 0.72 | CYP3A4 (0.37) | CYP3A4NFKB1NFKB2RELAEPAS1 | |
| Acetic Acid Methyl Ester SCHEMBL7837237 | 0.69 | ALDH1A1 (0.36) | — | |
| Acetic Acid Methyl Ester SCHEMBL7755177 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL25493699 | 0.66 | CYP3A4 (0.33) | CYP3A4MEN1LMNATP53MAPT | |
| SCHEMBL22797464 | 0.63 | OGA (0.33) | — | |
| SCHEMBL11208624 | 0.62 | CYP3A4 (0.36) | CYP3A4MEN1KMT2A | |
| SCHEMBL21004855 | 0.62 | CYP3A4 (0.34) | CYP3A4MEN1LMNATP53MAPT | |
| SCHEMBL13935223 | 0.62 | — | — | |
| SCHEMBL27831207 | 0.62 | CYP3A4 (0.43) | CYP3A4EPAS1MAPTNR1H4 | |
| SCHEMBL21011970 | 0.61 | CYP19A1 (0.33) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001226363-A | METHOD FOR PREPARING OPTICALLY ACTIVE 1,2-EPOXY-2,6,6- TRIMETHYLCYCLOHEXANEMETHANOL | KURARAY CO LTD | 2001-08-21 | — | — | JP | disclosed |