Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | COMT | P21964 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 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 | |
|---|---|---|---|---|
| SCHEMBL162843 | 0.84 | AKR1B1 (0.40) | PIK3CALMNAHTTAKR1B1ALDH1A1 | |
| SCHEMBL162067 | 0.84 | COMT (0.42) | PIK3CATSHRHTTAKR1B1ALDH1A1 | |
| SCHEMBL24909758 | 0.77 | COMT (0.46) | PIK3CATSHRHSD17B10LMNAHTT | |
| SCHEMBL29277549 | 0.75 | HTR2A (0.51) | PIK3CALMNAHTTAKR1B1HTR2A | |
| SCHEMBL254830 | 0.73 | AKR1B1 (0.38) | PIK3CAAKR1B1ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL163371 | 0.73 | EGFR (0.47) | HSD17B10LMNAHTTMAPTMEN1 | |
| SCHEMBL15366689 | 0.73 | SOD1 (0.48) | AKR1B1ALDH1A1COMTKCNH2MAPT | |
| SCHEMBL159925 | 0.73 | SCN9A (0.40) | ALDH1A1KEAP1NFE2L2COMTHTR2A | |
| SCHEMBL174377 | 0.73 | SCN9A (0.46) | — | |
| SCHEMBL174447 | 0.72 | CHEK1 (0.37) | PIK3CAHTTAKR1B1ALDH1A1KEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013005157-A1 | SULFONE DERIVATIVES AND THEIR USE AS PKM2 MODULATORS FOR THE TREATMENT OF CANCER | LUPIN LIMITED (IN) | 2013-01-10 | — | — | WO | disclosed |