Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 19/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7895333 | 0.94 | ADORA1 (0.63) | ADORA1SLC6A3 | |
| SCHEMBL13260960 | 0.93 | ADORA1 (0.63) | ADORA1SLC6A3 | |
| SCHEMBL13261041 | 0.91 | ADORA1 (0.62) | ADORA1SLC6A3 | |
| Hydrochloric Acid SCHEMBL20211440 | 0.90 | ADORA1 (0.62) | ADORA1SLC6A3 | |
| Hydrochloric Acid SCHEMBL20211439 | 0.90 | ADORA1 (0.62) | ADORA1SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL3728377 | 0.90 | ADORA1 (0.58) | ADORA1SLC6A3 | |
| SCHEMBL7895330 | 0.90 | ADORA1 (0.59) | ADORA1SLC6A3 | |
| SCHEMBL3699454 | 0.90 | ADORA1 (0.81) | ADORA1SLC6A3KDM4EMAPTNPSR1 | |
| SCHEMBL3726270 | 0.90 | ADORA1 (0.78) | ADORA1SLC6A3KDM4EMAPTHPGD | |
| SCHEMBL13261040 | 0.90 | ADORA1 (0.62) | ADORA1SLC6A3 |
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 |