Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR1 | Q92633 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8564973 | 0.90 | LPAR1 (0.43) | LPAR1ALDH1A1KDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL8561511 | 0.82 | KDM4E (0.45) | LPAR1ALDH1A1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL8564171 | 0.81 | HSD17B1 (0.46) | LPAR1ALDH1A1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL8559172 | 0.79 | ALDH1A1 (0.45) | LPAR1ALDH1A1KDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL8566775 | 0.74 | LPAR1 (0.47) | LPAR1ALDH1A1KDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL8567301 | 0.74 | LPAR1 (0.47) | LPAR1ALDH1A1KDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL8560596 | 0.74 | LPAR1 (0.47) | LPAR1ALDH1A1KDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL30613338 | 0.73 | LPAR1 (0.47) | LPAR1ALDH1A1KDM4ESMN1; SMN2ADORA3 | |
| SCHEMBL13776019 | 0.72 | LPAR1 (0.45) | LPAR1ALDH1A1KDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL8567545 | 0.72 | MAPT (0.42) | LPAR1ALDH1A1KDM4EHSD17B10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5770438-A | CHEMICAL INTERMEDIATES FOR ANTICHOLESTEROL COMPOUNDS, CYCLIZATION TO FORM BENZOXAZEPINE OR BENZOTHIAZEPINE COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0710725-A1 | Production of optically active compounds | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-08 | — | — | EP | disclosed |