Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.66 |
| ▸ | POLB | P06746 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.50 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27767403 | 0.89 | PKM (0.58) | PKMPOLBHTTPIK3CAGAA | |
| SCHEMBL27840965 | 0.83 | PIK3CA (0.76) | PKMPOLBHTTPIK3CAGAA | |
| SCHEMBL14488076 | 0.80 | PIK3CA (0.46) | PKMPOLBHTTPIK3CAGAA | |
| SCHEMBL27858470 | 0.80 | PIK3CA (0.77) | PKMPOLBHTTPIK3CAGAA | |
| SCHEMBL27819109 | 0.79 | PIK3CA (0.66) | PKMPOLBHTTPIK3CAGAA | |
| SCHEMBL27838810 | 0.79 | PIK3CA (1.00) | PKMPOLBHTTPIK3CAGAA | |
| SCHEMBL27858464 | 0.79 | PIK3CA (0.69) | PKMPOLBHTTPIK3CAGAA | |
| SCHEMBL28795786 | 0.79 | PIK3CA (0.69) | PKMPOLBHTTPIK3CAGAA | |
| SCHEMBL27858469 | 0.78 | PIK3CA (0.56) | PKMPOLBHTTPIK3CAALDH1A1 | |
| SCHEMBL28270265 | 0.78 | PKM (0.68) | PKMPOLBHTTPIK3CAGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013005157-A1 | SULFONE DERIVATIVES AND THEIR USE AS PKM2 MODULATORS FOR THE TREATMENT OF CANCER | LUPIN LIMITED (IN) | 2013-01-10 | — | — | WO | claimed |
| WO-2013005157-A1 | SULFONE DERIVATIVES AND THEIR USE AS PKM2 MODULATORS FOR THE TREATMENT OF CANCER | LUPIN LIMITED (IN) | 2013-01-10 | — | — | WO | disclosed |