Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 8/20 | 0.50 |
| ▸ | PDE7A | Q13946 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | PDE7B | Q9NP56 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.46 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.46 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | G6PD | P11413 | 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 | |
|---|---|---|---|---|
| SCHEMBL810656 | 0.88 | TDP1 (0.58) | TDP1MAPTPDE7AALDH1A1PDE7B | |
| SCHEMBL811285 | 0.87 | PDE7A (0.60) | TDP1MAPTPDE7AALDH1A1PDE7B | |
| SCHEMBL22208236 | 0.85 | TDP1 (0.62) | TDP1MAPTPDE7AALDH1A1PDE7B | |
| SCHEMBL29442449 | 0.85 | TDP1 (0.62) | TDP1MAPTPDE7AALDH1A1PDE7B | |
| SCHEMBL2960260 | 0.84 | PDE7A (0.62) | TDP1MAPTPDE7AALDH1A1PDE7B | |
| SCHEMBL8964795 | 0.83 | SMN1; SMN2 (0.51) | TDP1MAPTPDE7AALDH1A1PDE7B | |
| SCHEMBL1454112 | 0.83 | HPGD (0.59) | MAPTPDE7AALDH1A1MEN1KMT2A | |
| SCHEMBL10554313 | 0.81 | PDE7A (0.64) | TDP1MAPTPDE7AALDH1A1PDE7B | |
| SCHEMBL19048971 | 0.81 | PDE7A (0.71) | TDP1MAPTPDE7AALDH1A1PDE7B | |
| SCHEMBL5956007 | 0.81 | MAPT (0.52) | TDP1MAPTPDE7AALDH1A1MEN1 |
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 | disclosed |
| WO-2013005157-A1 | SULFONE DERIVATIVES AND THEIR USE AS PKM2 MODULATORS FOR THE TREATMENT OF CANCER | LUPIN LIMITED (IN) | 2013-01-10 | — | — | WO | disclosed |