Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | WNT1 | P04628 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL22290812 | 1.00 | LRRK2 (0.46) | LRRK2KMT2ATDP1PIK3CDPIK3CA | |
| SCHEMBL22290811 | 1.00 | LRRK2 (0.46) | LRRK2KMT2ATDP1PIK3CDPIK3CA | |
| SCHEMBL30729441 | 1.00 | LRRK2 (0.46) | LRRK2KMT2ATDP1PIK3CDPIK3CA | |
| SCHEMBL4550904 | 0.81 | TDP1 (0.58) | LRRK2KMT2ATDP1PIK3CDPIK3CA | |
| SCHEMBL2725997 | 0.81 | TDP1 (0.58) | LRRK2KMT2ATDP1PIK3CDPIK3CA | |
| SCHEMBL23860614 | 0.81 | NMT1 (0.46) | LRRK2KMT2AHTTACACB | |
| SCHEMBL31400968 | 0.81 | KDM4E (0.50) | LRRK2KMT2ATDP1PIK3CDPIK3CA | |
| SCHEMBL2726000 | 0.81 | TDP1 (0.58) | LRRK2KMT2ATDP1PIK3CDPIK3CA | |
| SCHEMBL28402936 | 0.81 | LRRK2 (0.47) | LRRK2KMT2ATDP1PIK3CDPIK3CA | |
| SCHEMBL21812486 | 0.78 | ACACB (0.45) | LRRK2KMT2APIK3CAKDM4EALDH1A1 |
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-4323351-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | A2A Pharmaceuticals, Inc. (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221194-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | A2A PHARMACEUTICALS, INC. (US) | 2022-10-20 | — | — | WO | disclosed |