Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.85 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.85 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.85 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.85 |
| ▸ | STAT3 | P40763 | 2/20 | 0.85 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.85 |
| ▸ | RELA | Q04206 | 2/20 | 0.85 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.85 |
| ▸ | APP | P05067 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | CA12 | O43570 | 2/20 | 0.68 |
| ▸ | CA1 | P00915 | 2/20 | 0.68 |
| ▸ | CA2 | P00918 | 2/20 | 0.68 |
| ▸ | CA3 | P07451 | 2/20 | 0.68 |
| ▸ | PKM | P14618 | 2/20 | 0.68 |
| ▸ | CA4 | P22748 | 2/20 | 0.68 |
| ▸ | CA6 | P23280 | 2/20 | 0.68 |
| ▸ | CA5A | P35218 | 2/20 | 0.68 |
| ▸ | SNCA | P37840 | 2/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL3294809 | 1.00 | CYP2D6 (0.85) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL3294805 | 1.00 | CYP2D6 (0.85) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL29566264 | 0.95 | STAT3 (0.76) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL1493283 | 0.92 | CYP2D6 (1.00) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL29478095 | 0.92 | CYP2D6 (1.00) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL1493282 | 0.92 | CYP2D6 (1.00) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL30668505 | 0.92 | CYP2D6 (1.00) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL17014665 | 0.90 | NFKB1 (0.74) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL2744233 | 0.88 | CYP2D6 (0.91) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL19824721 | 0.88 | CYP2D6 (0.91) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 |
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-2022090877-A1 | METAL COMPLEXES OF DIARYLHEPTANOIDS AND ITS DERIVATIVES | ARJUNA NATURAL PRIVATE LIMITED (IN) | 2022-05-05 | — | — | WO | disclosed |