Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | PDE6D | O43924 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5138093 | 0.92 | TSHR (0.43) | RAB9ANPC1SMPD1ALDH1A1L3MBTL1 | |
| SCHEMBL5135816 | 0.91 | TSHR (0.44) | TLR7RAB9ANPC1ALDH1A1L3MBTL1 | |
| SCHEMBL5072318 | 0.87 | TSHR (0.40) | RAB9ASMPD1LTB4R2ALDH1A1L3MBTL1 | |
| SCHEMBL5134787 | 0.86 | BCHE (0.42) | SMPD1L3MBTL1TSHRBCHE | |
| SCHEMBL14415533 | 0.86 | ALDH1A1 (0.39) | TLR7ALDH1A1L3MBTL1GAATP53 | |
| SCHEMBL14415595 | 0.84 | HPGD (0.44) | RAB9AALDH1A1L3MBTL1MAPTHPGD | |
| SCHEMBL5135645 | 0.84 | TAS2R14 (0.44) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5072278 | 0.84 | TSHR (0.51) | ALDH1A1MAPK1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5135378 | 0.83 | CALM1 (0.45) | TLR7ALDH1A1GAAMAPTMAPK1 | |
| SCHEMBL5135023 | 0.83 | AGTR1 (0.45) | MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |