Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGIR | P43119 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL810329 | 0.86 | ALDH1A1 (0.55) | PTGIRMAPTALDH1A1HPGDKDM4E | |
| SCHEMBL2970197 | 0.81 | SLC6A2 (0.57) | MAPTALDH1A1HPGDKDM4EL3MBTL1 | |
| SCHEMBL8964803 | 0.80 | MEN1 (0.54) | PTGIRMAPTALDH1A1HPGDKDM4E | |
| SCHEMBL20591221 | 0.80 | MAPT (0.59) | PTGIRMAPTALDH1A1HPGDKDM4E | |
| SCHEMBL19041461 | 0.79 | CYP3A4 (0.61) | MAPTALDH1A1HPGDKDM4EL3MBTL1 | |
| SCHEMBL1454782 | 0.79 | MAPT (0.78) | PTGIRMAPTALDH1A1HPGDKDM4E | |
| SCHEMBL10558215 | 0.78 | SLC6A2 (0.48) | MAPTALDH1A1HPGDKDM4EL3MBTL1 | |
| SCHEMBL482369 | 0.78 | CA1 (0.65) | PTGIRMAPTALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL29217096 | 0.77 | ALDH1A1 (0.47) | MAPTALDH1A1HPGDKDM4EL3MBTL1 | |
| SCHEMBL5786907 | 0.77 | TDP1 (0.73) | PTGIRMAPTALDH1A1HPGDKDM4E |
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 |