Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.51 |
| ▸ | KDM1A | O60341 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | IP6K2 | Q9UHH9 | 2/20 | 0.51 |
| ▸ | XDH | P47989 | 2/20 | 0.51 |
| ▸ | IPMK | Q8NFU5 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PLG | P00747 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310036 | 0.92 | CYP1B1 (0.55) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A | |
| SCHEMBL7303648 | 0.90 | CYP1B1 (0.51) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A | |
| SCHEMBL7304881 | 0.85 | CYP1B1 (0.53) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A | |
| SCHEMBL7307391 | 0.84 | CYP1B1 (0.53) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A | |
| SCHEMBL7309697 | 0.83 | CYP1B1 (0.58) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A | |
| SCHEMBL7303645 | 0.82 | CYP1B1 (0.57) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A | |
| SCHEMBL7311118 | 0.82 | CYP1B1 (0.57) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A | |
| SCHEMBL7316873 | 0.82 | CYP1B1 (0.57) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A | |
| SCHEMBL8327175 | 0.82 | CYP3A4 (0.42) | CYP1A2MEN1ALDH1A1POLBMAPT | |
| SCHEMBL7318625 | 0.82 | CYP1B1 (0.56) | CYP1B1CYP1A1CYP1A2ABCC1KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003024488-A2 | COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST | ALTANA PHARMA AG (DE) | 2003-03-27 | — | — | WO | disclosed |