Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.63 |
| ▸ | IKBKB | O14920 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3203058 | 0.82 | VKORC1 (0.52) | VKORC1IKBKBALDH1A1CYP3A4MAOA | |
| SCHEMBL623887 | 0.82 | VKORC1 (0.59) | VKORC1IKBKBALDH1A1CYP3A4KDM4E | |
| SCHEMBL7047704 | 0.79 | IKBKB (0.59) | VKORC1IKBKBALDH1A1CYP3A4MAOA | |
| SCHEMBL3130212 | 0.78 | IKBKB (0.61) | VKORC1IKBKBALDH1A1CYP3A4MAOA | |
| SCHEMBL25200752 | 0.76 | IKBKB (0.69) | VKORC1IKBKBMAOAKDM4EMAPT | |
| SCHEMBL25196944 | 0.76 | IKBKB (0.72) | VKORC1IKBKBMAOAKDM4EMAPT | |
| SCHEMBL2052448 | 0.75 | IKBKB (0.58) | VKORC1IKBKBALDH1A1CYP3A4MAOA | |
| SCHEMBL24075575 | 0.75 | NUDT1 (0.77) | VKORC1IKBKBALDH1A1CYP3A4MAOA | |
| SCHEMBL29699624 | 0.74 | VKORC1 (0.74) | VKORC1IKBKBMAOAMAPTMGAM | |
| SCHEMBL15360894 | 0.72 | VKORC1 (0.57) | VKORC1IKBKBALDH1A1CYP3A4MAOA |
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-9090583-B2 | Benzopyrone estrogen receptor regulator | BEIJING SHENOGEN PHARMA GROUP LTD. (CN) | 2015-07-28 | — | — | US | disclosed |