Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5546837 | 0.82 | ERN1 (0.52) | ERN1L3MBTL1LTA4HPDE3BPDE3A | |
| SCHEMBL7248576 | 0.81 | ALDH1A1 (0.43) | ERN1MAPK1ALDH1A1HPGD | |
| SCHEMBL7246626 | 0.78 | PTGDR2 (0.46) | LTA4HALDH1A1 | |
| SCHEMBL7248509 | 0.75 | ALDH1A1 (0.44) | NPC1ALDH1A1GAAHPGDRAB9A | |
| SCHEMBL3458672 | 0.72 | RARB (0.49) | ERN1LTA4HALDH1A1 | |
| SCHEMBL5883497 | 0.71 | LTA4H (0.46) | L3MBTL1LTA4HPDE3BPDE3AP2RY12 | |
| SCHEMBL5546813 | 0.70 | ERN1 (0.64) | ERN1ALDH1A1 | |
| SCHEMBL15363239 | 0.69 | NPC1 (0.43) | ERN1L3MBTL1NPC1ALDH1A1GAA | |
| SCHEMBL7247955 | 0.68 | ERN1 (0.57) | ERN1ALDH1A1 | |
| SCHEMBL12000868 | 0.68 | CYP4F2 (0.64) | L3MBTL1 |
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-6566535-B1 | Causing an orthohalogenobenzaldehyde or derivative to react with a propanethiol having an electron-attracting group at its 4- position. | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-20 | — | — | US | disclosed |
| EP-1184381-A1 | PROCESSES FOR THE PREPARATION OF 2,3-DIHYDROTHIEPINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-03-06 | — | — | EP | disclosed |