Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL798496 | 0.85 | AHR (0.35) | KDM4EALDH1A1L3MBTL1MAPK1HTT | |
| SCHEMBL545249 | 0.80 | KDM4E (0.50) | KDM4EALDH1A1L3MBTL1MAPK1HTT | |
| SCHEMBL21929854 | 0.80 | AHR (0.33) | KDM4EALDH1A1L3MBTL1MAPK1HTT | |
| SCHEMBL17132540 | 0.80 | KDM4E (0.44) | KDM4EALDH1A1L3MBTL1MAPK1HTT | |
| SCHEMBL20047533 | 0.77 | KDM4E (0.37) | KDM4EPDE10AAHRPIK3CGPIK3CD | |
| SCHEMBL26128493 | 0.76 | CCR1 (0.32) | AHR | |
| SCHEMBL26125315 | 0.76 | CCR1 (0.32) | AHRPIK3CGPIK3CD | |
| SCHEMBL16478033 | 0.76 | PIK3CG (0.50) | KDM4EALDH1A1L3MBTL1MAPK1HTT | |
| SCHEMBL3132802 | 0.76 | KDM4E (0.39) | KDM4EALDH1A1L3MBTL1MAPK1HTT | |
| SCHEMBL20723215 | 0.75 | ALDH1A1 (0.41) | KDM4EALDH1A1MAPTGAA |
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-2019118571-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2019-06-20 | — | — | WO | disclosed |