Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 17/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | RET | P07949 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7900475 | 0.83 | ADORA1 (0.78) | ADORA1SLC6A3RET | |
| SCHEMBL21134399 | 0.83 | ADORA1 (0.61) | ADORA1SLC6A3RETKDM4EHTT | |
| SCHEMBL13929765 | 0.83 | ADORA1 (0.77) | ADORA1SLC6A3RET | |
| SCHEMBL15501124 | 0.82 | ADORA1 (0.77) | ADORA1SLC6A3RET | |
| SCHEMBL12409394 | 0.82 | ADORA1 (0.73) | ADORA1SLC6A3RETKDM4EHTT | |
| SCHEMBL13998935 | 0.82 | ADORA1 (0.85) | ADORA1SLC6A3 | |
| SCHEMBL13929978 | 0.81 | ADORA1 (0.67) | ADORA1SLC6A3RET | |
| SCHEMBL13879989 | 0.80 | ADORA1 (0.58) | ADORA1SLC6A3RETKDM4EHTT | |
| SCHEMBL13929772 | 0.80 | ADORA1 (0.63) | ADORA1SLC6A3RETKDM4EHTT | |
| SCHEMBL12409395 | 0.80 | ADORA1 (0.67) | ADORA1SLC6A3RET |
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 |
|---|---|---|---|---|---|---|---|
| EP-3292133-B1 | METHOD FOR THE PREPARATION OF 2-{4-[2-({[2-(4-CHLOROPHENYL) -1,3-THIAZOL-4-YL]METHYL}SULFANYL)-3,5-DICYAN-6- (PYRROLIDIN-1-YL)PYRIDIN-4-YL]PHENOXY}ETHYL-L-ALANYL-L-ALANINATE HYDROCHLORIDE | Bayer Pharma AG (DE) | 2019-06-26 | — | — | EP | disclosed |