Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412032 | 1.00 | MAOA (0.51) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL9411971 | 0.81 | CYP2C19 (0.56) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL9411974 | 0.81 | CYP2C19 (0.56) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL7021780 | 0.80 | GABRB2 (0.50) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL28460539 | 0.80 | GABRB2 (0.50) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL9412024 | 0.77 | PGR (0.48) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL9412021 | 0.77 | PGR (0.48) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL9412000 | 0.75 | MAPT (0.43) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL9412005 | 0.75 | MAPT (0.43) | MAOAPGRARGABRA1SLC6A2 | |
| SCHEMBL9412002 | 0.75 | MAPT (0.43) | MAOAPGRARGABRA1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0611759-A1 | Pyrimidinyloxy/triazinyloxy alkanol derivatives and their use as herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1994-08-24 | — | — | EP | disclosed |
| EP-0108236-A2 | 1-Aryl-3-azolyl-4,4-dimethyl-1-pentene | BAYER AG (DE) | 1984-05-16 | — | — | EP | disclosed |