Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360305 | 0.83 | EPHX2 (0.45) | EPHX2KDM1APOLBDDB1CRBN | |
| SCHEMBL178474 | 0.71 | — | — | |
| SCHEMBL6668265 | 0.68 | KDM1A (0.48) | EPHX2KDM1ADDB1CRBNNAMPT | |
| SCHEMBL17788638 | 0.67 | EPHX2 (0.49) | EPHX2KDM1ADDB1CRBNNAMPT | |
| SCHEMBL3305842 | 0.66 | EPHX2 (0.47) | EPHX2KDM1ADDB1CRBNNAMPT | |
| SCHEMBL31637548 | 0.66 | EPHX2 (0.44) | EPHX2KDM1ADDB1CRBNNAMPT | |
| SCHEMBL26269465 | 0.65 | LMNA (0.46) | EPHX2KDM1APOLBKMT2ALMNA | |
| SCHEMBL26026716 | 0.65 | EPHX2 (0.57) | EPHX2KDM1ADDB1CRBNNAMPT | |
| SCHEMBL15932464 | 0.65 | NPSR1 (0.53) | EPHX2DDB1CRBNNAMPTHPGDS | |
| SCHEMBL21290463 | 0.65 | EPHX2 (0.54) | EPHX2KDM1ADDB1CRBNNAMPT |
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-2020167976-A1 | THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS | AGIOS PHARMACEUTICALS, INC. (US) | 2020-08-20 | — | — | WO | disclosed |