Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4A | O75164 | 2/20 | 0.37 |
| ▸ | KDM5A | P29375 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824010 | 0.82 | MEN1 (0.46) | CYP3A4EPHX1MAPTMEN1KMT2A | |
| SCHEMBL9862847 | 0.81 | CYP3A4 (0.55) | CYP3A4MAPTMEN1KMT2ATDP1 | |
| SCHEMBL9823992 | 0.80 | KDM4A (0.38) | CYP3A4EPHX1MAPTKDM4AKDM5A | |
| SCHEMBL9388155 | 0.79 | MAPT (0.44) | CYP3A4MAPTMEN1KMT2APPARG | |
| SCHEMBL9832648 | 0.75 | EPHX1 (0.46) | EPHX1KDM4AKDM5AAKT1ENPP2 | |
| SCHEMBL10333724 | 0.73 | MEN1 (0.46) | MEN1KMT2ATDP1PPARGPPARD | |
| SCHEMBL10333821 | 0.73 | KMT2A (0.41) | CYP3A4MAPTMEN1KMT2ATDP1 | |
| SCHEMBL9823633 | 0.72 | EPHX1 (0.43) | EPHX1KDM4AKDM5AAKT1ENPP2 | |
| SCHEMBL9824474 | 0.71 | MAPT (0.48) | CYP3A4MAPTMEN1KMT2ATDP1 | |
| SCHEMBL9023287 | 0.70 | CYP3A4 (0.51) | CYP3A4MAPTMEN1KMT2ATDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0301393-B1 | 1,4-DISUBSTITUTED 1-AZOLYL-3,3-DYMETHYLBUTANE DERIVATIVES | BAYER AG (DE) | 1991-08-14 | — | — | EP | disclosed |
| US-4968712-A | PHYTOPATHOGENS, AGRICULTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| EP-0301393-A1 | 1,4-Disubstituted 1-azolyl-3,3-dymethylbutane derivatives | BAYER AG (DE) | 1989-02-01 | — | — | EP | disclosed |