Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | GLA | P06280 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | CASP7 | P55210 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 10/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL188692 | 0.89 | ALDH1A1 (0.60) | ALDH1A1HSD17B10GLAMAPK1KDM4E | |
| SCHEMBL15580682 | 0.82 | PIK3CA (0.50) | ALDH1A1HSD17B10GLAMAPK1KDM4E | |
| SCHEMBL2632910 | 0.79 | PIK3CA (0.50) | ALDH1A1HSD17B10GLAMAPK1KDM4E | |
| SCHEMBL188697 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HSD17B10GLAMAPK1KDM4E | |
| SCHEMBL189369 | 0.76 | ALDH1A1 (0.63) | ALDH1A1HSD17B10GLAMAPK1KDM4E | |
| SCHEMBL188829 | 0.74 | ALDH1A1 (0.58) | ALDH1A1HSD17B10GLAMAPK1KDM4E | |
| SCHEMBL188991 | 0.73 | KDM4E (0.59) | ALDH1A1HSD17B10GLAMAPK1KDM4E | |
| SCHEMBL24288255 | 0.72 | USP2 (0.42) | ALDH1A1HSD17B10GLAMAPK1HPGD | |
| SCHEMBL6128333 | 0.72 | PIK3CA (0.60) | PIK3CA | |
| SCHEMBL190097 | 0.72 | KDM4E (0.60) | ALDH1A1HSD17B10GLAMAPK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2139484-B9 | METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA | EXELIXIS INC (US) | 2014-06-11 | — | — | EP | disclosed |