Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | POLB | P06746 | 3/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARD | Q03181 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Elemicin SCHEMBL30363316 | 1.00 | CYP3A4 (1.00) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL68041 | 1.00 | CYP3A4 (1.00) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL28330527 | 0.98 | CYP3A4 (0.97) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL28810327 | 0.98 | CYP3A4 (0.97) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL28264826 | 0.93 | CYP3A4 (0.87) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL28165448 | 0.92 | CYP3A4 (0.85) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL27906877 | 0.92 | CYP3A4 (0.85) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL28807220 | 0.90 | CYP3A4 (0.81) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL3121230 | 0.89 | CYP3A4 (0.79) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 | |
| Elemicin SCHEMBL28664910 | 0.87 | CYP3A4 (0.75) | CYP3A4ALDH1A1SMN1; SMN2POLBALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-4671959-A | INHALING NUTMEG OIL AND A CARRIER MIXTURE | YALE UNIVERSITY (US) | 1987-06-09 | — | — | US | disclosed |