Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | CA12 | O43570 | 6/20 | 0.62 |
| ▸ | CA2 | P00918 | 6/20 | 0.62 |
| ▸ | CA9 | Q16790 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | MPO | P05164 | 6/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11977377 | 0.89 | TSHR (0.67) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL14580319 | 0.89 | TSHR (0.67) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL12996041 | 0.85 | TSHR (0.62) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL13995732 | 0.85 | TSHR (0.62) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL13995849 | 0.85 | TSHR (0.62) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL7744629 | 0.84 | POLB (0.62) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL172713 | 0.84 | TSHR (0.60) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL11574253 | 0.82 | TSHR (0.69) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL21791725 | 0.81 | CA12 (0.69) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL460754 | 0.81 | TSHR (1.00) | TSHRCYP2D6HIF1ACA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109503479-A | A kind of naphthoquine phosphate process impurity and its synthetic method | 四川自豪时代药业有限公司 | 2019-03-22 | — | — | CN | disclosed |
| EP-3156410-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-04-19 | — | — | EP | disclosed |