Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24125131 | 0.76 | SSTR4 (0.30) | HTR5A | |
| SCHEMBL24576052 | 0.72 | HTR2A (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL22860049 | 0.71 | PDCD1 (0.40) | ALDH1A1MAPTHTR5AMAPK1SLC6A2 | |
| SCHEMBL29789710 | 0.68 | HTR2C (0.33) | NOS3NOS1NOS2NPC1HSP90AA1 | |
| SCHEMBL2838703 | 0.68 | ALDH1A1 (0.40) | ALDH1A1MAPTNPC1 | |
| SCHEMBL29313818 | 0.68 | ALDH1A1 (0.40) | ALDH1A1MAPTPDE3ASLC6A2 | |
| SCHEMBL23123983 | 0.68 | HTR2C (0.33) | NOS3NOS1NOS2NPC1HSP90AA1 | |
| SCHEMBL24577418 | 0.67 | PDK2 (0.32) | — | |
| SCHEMBL24125123 | 0.67 | KDM1A (0.36) | OPRL1 | |
| SCHEMBL24125125 | 0.66 | OPRL1 (0.34) | SLC6A2OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021255089-A1 | 1,3,4-OXADIAZOLE PYRIMIDINES AND 1,3,4-OXADIAZOLE PYRIDINES AS FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-12-23 | — | — | WO | disclosed |