Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.41 |
| ▸ | VNN1 | O95497 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | ROS1 | P08922 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL450601 | 0.85 | MAPKAPK2 (0.46) | P2RX7MAPKAPK2VNN1CDK2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8507149 | 0.83 | MAPKAPK2 (0.45) | P2RX7MAPKAPK2VNN1CDK2ALDH1A1 | |
| SCHEMBL18723698 | 0.82 | AKT1 (0.42) | P2RX7MAPKAPK2VNN1CDK2AKT1 | |
| SCHEMBL18723699 | 0.82 | NR3C2 (0.42) | MAPKAPK2VNN1MEN1KMT2ACDK2 | |
| SCHEMBL12974365 | 0.82 | HPGD (0.50) | MAPKAPK2VNN1MEN1KMT2ACDK2 | |
| SCHEMBL28897187 | 0.82 | ALDH1A1 (0.54) | POLBMAPKAPK2VNN1MEN1KMT2A | |
| SCHEMBL18435383 | 0.81 | PDE4A (0.42) | P2RX7MAPKAPK2VNN1ALDH1A1GAA | |
| SCHEMBL2034204 | 0.81 | MAPKAPK2 (0.42) | P2RX7MAPKAPK2VNN1CDK2ALDH1A1 | |
| SCHEMBL9276779 | 0.80 | MAPT (0.48) | MAPKAPK2VNN1MEN1KMT2ACDK2 | |
| SCHEMBL15903895 | 0.80 | ESR1 (0.55) | MAPKAPK2VNN1KMT2AALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | claimed |
| EP-2948135-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS | Case Western Reserve University (US) | 2015-12-02 | — | — | EP | disclosed |
| WO-2014117089-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS | CASE WESTERN RESERVE UNIVERSITY (US) | 2014-07-31 | — | — | WO | disclosed |
| WO-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | disclosed |