Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9156361 | 1.00 | MAPK1 (0.40) | MAPK1CETPMAPTFAAHP2RX3 | |
| SCHEMBL9804338 | 0.87 | LTA4H (0.46) | MAPK1CETPMAPTP2RX3MAPK14 | |
| SCHEMBL9804345 | 0.87 | LTA4H (0.46) | MAPK1CETPMAPTP2RX3MAPK14 | |
| SCHEMBL9804448 | 0.87 | LTA4H (0.46) | MAPK1CETPMAPTP2RX3MAPK14 | |
| SCHEMBL9804247 | 0.83 | CETP (0.42) | CETPP2RX3MAPK14F10F7 | |
| SCHEMBL9804245 | 0.83 | CETP (0.42) | CETPP2RX3MAPK14F10F7 | |
| SCHEMBL9804404 | 0.82 | CETP (0.40) | CETPP2RX3MAPK14F10F7 | |
| SCHEMBL9804397 | 0.82 | CETP (0.40) | CETPP2RX3MAPK14F10F7 | |
| SCHEMBL7932271 | 0.82 | AKR1C3 (0.42) | CETPMAPK14FFAR1FFAR4 | |
| SCHEMBL7932267 | 0.82 | AKR1C3 (0.42) | CETPMAPK14FFAR1FFAR4 |
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-0386715-B1 | Heteroaryl-aryl-butene and such butane derivatives, process for their preparation, compositions containing them and their use as biocides | HOECHST AG (DE) | 1995-02-15 | — | — | EP | disclosed |
| EP-0386715-A2 | Heteroaryl-aryl-butene and such butane derivatives, process for their preparation, compositions containing them and their use as biocides | Hoechst Schering AgrEvo GmbH (DE) | 1990-09-12 | — | — | EP | disclosed |