Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 6/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2201887 | 0.82 | AURKB (0.64) | AURKAAURKBRIPK1TNIKRET | |
| SCHEMBL2205962 | 0.81 | AURKA (0.44) | ADORA2AADORA1AURKAAURKBRIPK1 | |
| SCHEMBL28022078 | 0.80 | PKM (0.44) | AURKAAURKBPOLBL3MBTL1MAPT | |
| SCHEMBL28022048 | 0.78 | AURKA (0.46) | AURKAAURKBPOLBL3MBTL1MAPT | |
| SCHEMBL28557357 | 0.78 | AURKB (0.49) | ADORA2AADORA1AURKAAURKBPOLB | |
| SCHEMBL12338778 | 0.77 | AURKA (0.63) | AURKAAURKBRIPK1TNIKRET | |
| SCHEMBL28022063 | 0.77 | SMN1; SMN2 (0.42) | AURKAAURKBPOLBMAPTKMT2A | |
| SCHEMBL28556178 | 0.77 | AURKA (0.39) | AURKAAURKBPOLBL3MBTL1MAPT | |
| SCHEMBL28562221 | 0.76 | AURKA (0.41) | AURKAPOLBKMT2A | |
| SCHEMBL28549342 | 0.75 | ACHE (0.48) | ADORA2AAURKAAURKBPOLBTNIK |
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 |
|---|---|---|---|---|---|---|---|
| CN-104797267-A | Method of treating tyrosine kinase inhibitor-resistant malignancies in patients with genetic polymorphism or AHI1 dysregulation or mutation using dianhydrogalactitol, diacetyldianhydrogalactitol, dibromodulcitol, or analogs or derivatives thereof | DEL MAR PHARMACEUTICALS | 2015-07-22 | — | — | CN | disclosed |