Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835129 | 0.83 | CYP3A4 (0.49) | ABCB1ERN1CYP3A4FASNTDP1 | |
| SCHEMBL3860745 | 0.79 | CYP3A4 (0.42) | ABCB1ERN1MAPTCYP3A4ALOX5 | |
| SCHEMBL15266045 | 0.78 | ALOX5 (0.44) | ERN1ALOX5PTGS2 | |
| SCHEMBL27497325 | 0.74 | MAPT (0.64) | ERN1MAPTCYP3A4GRIN2DGRIN3B | |
| SCHEMBL724406 | 0.74 | PTGS2 (0.59) | MAPTCYP3A4GAACA12CA1 | |
| SCHEMBL20855329 | 0.73 | KDM4E (0.34) | ABCB1ERN1MAPTCYP3A4CA1 | |
| SCHEMBL743276 | 0.72 | ERN1 (0.57) | ERN1MAPTCYP3A4NFKB1RELA | |
| SCHEMBL29694978 | 0.72 | ERN1 (0.47) | ERN1CYP3A4CA12CA1CA7 | |
| SCHEMBL8699353 | 0.72 | ERN1 (0.47) | ERN1TDP1 | |
| SCHEMBL4054977 | 0.72 | MAPT (0.51) | ERN1MAPTCYP3A4GAAALOX5 |
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-2984072-A1 | SYNTHETIC ANALOGUES OF XANTHOHUMOL | Universita Di Pisa (IT) | 2016-02-17 | — | — | EP | disclosed |
| WO-2014167481-A1 | SYNTHETIC ANALOGUES OF XANTHOHUMOL | UNIVERSITA' DI PISA (IT) | 2014-10-16 | — | — | WO | disclosed |