Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16598584 | 0.86 | PRKD1 (0.32) | KDM4EHIF1AALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL948972 | 0.81 | KDM4C (0.41) | NPSR1KDM4CKDM4EHIF1ASTAT3 | |
| SCHEMBL22290228 | 0.80 | NPSR1 (0.42) | NPSR1KDM4CKDM4EHIF1ASTAT3 | |
| SCHEMBL7451996 | 0.77 | KDM4E (0.42) | NPSR1KDM4CKDM4EHIF1ASTAT3 | |
| SCHEMBL951010 | 0.76 | PDGFRB (0.41) | NPSR1KDM4CKDM4EHIF1ASTAT3 | |
| SCHEMBL29262474 | 0.74 | KDM4C (0.38) | NPSR1KDM4CKDM4EHIF1ASTAT3 | |
| SCHEMBL950978 | 0.71 | NPSR1 (0.43) | NPSR1KDM4CKDM4EHIF1ASTAT3 | |
| SCHEMBL22290167 | 0.69 | NPSR1 (0.44) | NPSR1KDM4EALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL69295 | 0.69 | NPSR1 (0.48) | NPSR1KDM4CKDM4EHIF1ASTAT3 | |
| SCHEMBL19763311 | 0.69 | KDM4C (0.48) | NPSR1KDM4CKDM4EHIF1ASTAT3 |
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-3049409-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015044075-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-02 | — | — | WO | disclosed |