Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.46 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28945534 | 0.82 | PIK3CA (0.49) | PIK3CAKDM4ERXFP1TSHRHSD17B10 | |
| SCHEMBL27924146 | 0.82 | PIK3CA (0.81) | PIK3CAKDM4ETSHRHSD17B10LMNA | |
| SCHEMBL27858622 | 0.81 | PIK3CA (0.80) | PIK3CAKDM4ETSHRHSD17B10LMNA | |
| SCHEMBL27841038 | 0.78 | PIK3CA (0.65) | PIK3CAKDM4ERXFP1TSHRHSD17B10 | |
| SCHEMBL27858459 | 0.78 | PIK3CA (0.74) | PIK3CAKDM4ELMNAHTTMEN1 | |
| SCHEMBL27840949 | 0.78 | PIK3CA (1.00) | PIK3CAKDM4ETSHRHSD17B10LMNA | |
| SCHEMBL27840960 | 0.78 | PIK3CA (0.57) | PIK3CAKDM4ERXFP1LMNAHTT | |
| SCHEMBL28795809 | 0.78 | PIK3CA (0.66) | PIK3CAKDM4ERXFP1LMNAHTT | |
| SCHEMBL27858462 | 0.78 | PIK3CA (0.74) | PIK3CALMNAHTTMEN1KMT2A | |
| SCHEMBL14488046 | 0.77 | PKM (0.66) | PIK3CAKDM4ETSHRLMNAHTT |
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 |