Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 5/20 | 0.59 |
| ▸ | BRAF | P15056 | 5/20 | 0.58 |
| ▸ | METAP2 | P50579 | 2/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.48 |
| ▸ | PRKDC | P78527 | 1/20 | 0.48 |
| ▸ | RAF1 | P04049 | 2/20 | 0.45 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28924972 | 0.84 | PIK3CA (0.60) | PIK3CABRAFMETAP2PIK3CDPIK3CB | |
| SCHEMBL28961950 | 0.81 | BRAF (0.61) | PIK3CABRAFMETAP2RAF1MAPK3 | |
| SCHEMBL7779486 | 0.75 | PTGS2 (0.58) | PTGS2PTGS1 | |
| SCHEMBL28640314 | 0.75 | PIK3CA (0.52) | PIK3CABRAFMETAP2PIK3CDPIK3CB | |
| SCHEMBL561550 | 0.75 | PIK3CA (0.75) | PIK3CABRAFMETAP2PIK3CDPIK3CB | |
| SCHEMBL2194222 | 0.75 | PIK3CA (1.00) | PIK3CABRAFMETAP2PIK3CDPIK3CB | |
| SCHEMBL22886577 | 0.74 | BRAF (0.57) | PIK3CABRAFMETAP2CREBBPAURKA | |
| SCHEMBL26715311 | 0.73 | PIK3CA (0.57) | PIK3CABRAFMETAP2PIK3CDPIK3CB | |
| SCHEMBL28631160 | 0.73 | BRAF (0.55) | PIK3CABRAFMETAP2MAPK3MAPK1 | |
| SCHEMBL7777709 | 0.72 | PTGS2 (0.53) | BRAFMAPK3MAPK1PTGS2PTGS1 |
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-106659765-B | Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer | 德玛医药 | 2021-08-13 | — | — | CN | disclosed |