Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | SOD1 | P00441 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 2/20 | 0.54 |
| ▸ | KARS1 | Q15046 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15389695 | 1.00 | CYP3A4 (0.56) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL2727636 | 1.00 | CYP3A4 (0.56) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL15389694 | 1.00 | CYP3A4 (0.56) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL2728258 | 0.89 | SOD1 (0.57) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL15390301 | 0.89 | SOD1 (0.57) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL2728257 | 0.89 | SOD1 (0.57) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL15390300 | 0.89 | SOD1 (0.57) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL2727799 | 0.87 | CYP3A4 (0.55) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL15389448 | 0.87 | CYP3A4 (0.55) | CYP3A4ALDH1A1MAPTALOX15SOD1 | |
| SCHEMBL15389447 | 0.87 | CYP3A4 (0.55) | CYP3A4ALDH1A1MAPTALOX15SOD1 |
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 |