Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SOD1 | P00441 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | KARS1 | Q15046 | 4/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL15389628 | 1.00 | CYP3A4 (0.52) | CYP3A4MAPTALOX15ALDH1A1SOD1 | |
| SCHEMBL15389629 | 1.00 | CYP3A4 (0.52) | CYP3A4MAPTALOX15ALDH1A1SOD1 | |
| SCHEMBL2729596 | 1.00 | CYP3A4 (0.52) | CYP3A4MAPTALOX15ALDH1A1SOD1 | |
| SCHEMBL15388987 | 0.83 | CYP3A4 (0.64) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL15388986 | 0.83 | CYP3A4 (0.64) | CYP3A4MAPTALOX15ALDH1A1AR | |
| SCHEMBL2728258 | 0.81 | SOD1 (0.57) | CYP3A4MAPTALOX15ALDH1A1SOD1 | |
| SCHEMBL15390300 | 0.81 | SOD1 (0.57) | CYP3A4MAPTALOX15ALDH1A1SOD1 | |
| SCHEMBL2728257 | 0.81 | SOD1 (0.57) | CYP3A4MAPTALOX15ALDH1A1SOD1 | |
| SCHEMBL15390301 | 0.81 | SOD1 (0.57) | CYP3A4MAPTALOX15ALDH1A1SOD1 | |
| Fumaric Acid SCHEMBL15389348 | 0.79 | CYP3A4 (0.43) | CYP3A4MAPTALOX15ALDH1A1SOD1 |
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-2632892-A1 | DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012055894-A1 | DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2012-05-03 | — | — | WO | disclosed |