Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | LTK | P29376 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20043180 | 0.85 | KDM4E (0.46) | CSNK1A1AURKACSF1RRETLTK | |
| SCHEMBL545249 | 0.80 | KDM4E (0.50) | KDM4EALDH1A1HTTL3MBTL1MAPK1 | |
| SCHEMBL20047674 | 0.80 | KDM4E (0.54) | CSNK1A1AURKACSF1RRETLTK | |
| SCHEMBL21161035 | 0.77 | POLB (0.35) | CSNK1A1AURKACSF1RRETLTK | |
| SCHEMBL20047735 | 0.77 | KDM4E (0.44) | CSNK1A1AURKACSF1RRETLTK | |
| SCHEMBL10236233 | 0.77 | ALDH1A1 (0.58) | KDM4EPOLBALDH1A1HTTL3MBTL1 | |
| SCHEMBL16478033 | 0.76 | PIK3CG (0.50) | CDK5KDM4EPOLBALDH1A1HTT | |
| SCHEMBL3132802 | 0.76 | KDM4E (0.39) | KDM4EALDH1A1HTTL3MBTL1MAPK1 | |
| SCHEMBL21097673 | 0.74 | KDM4E (0.36) | KDM4EALDH1A1HTTL3MBTL1MAPK1 | |
| SCHEMBL23728535 | 0.74 | APOBEC3A (0.53) | KDM4EPOLBALDH1A1L3MBTL1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3675847-B1 | SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | H LUNDBECK AS (DK) | 2023-07-12 | — | — | EP | disclosed |
| WO-2019118571-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2019-06-20 | — | — | WO | disclosed |
| WO-2018067704-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-04-12 | — | — | WO | disclosed |