Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CFTR | P13569 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21820651 | 0.97 | SLC6A4 (0.37) | PDE2ASLC6A4SLC6A3CFTROPRM1 | |
| SCHEMBL350025 | 0.94 | PDE2A (0.39) | PDE2ACFTROPRM1NPC1RAB9A | |
| Water SCHEMBL2201519 | 0.91 | PDE2A (0.37) | PDE2ACFTROPRM1NPC1RAB9A | |
| SCHEMBL22099906 | 0.84 | CFTR (0.36) | PDE2ACFTRNPC1RAB9APIK3CA | |
| SCHEMBL21961921 | 0.84 | PDE2A (0.36) | PDE2ASLC6A4SLC6A3CFTROPRM1 | |
| SCHEMBL4620287 | 0.81 | CFTR (0.44) | CFTR | |
| SCHEMBL21820755 | 0.80 | PDE4A (0.37) | PDE2ACFTRNPC1RAB9APIK3CA | |
| SCHEMBL21883395 | 0.79 | CFTR (0.38) | PDE2ASLC6A4SLC6A3CFTR | |
| SCHEMBL17644323 | 0.78 | PIK3CA (0.39) | PDE2ACFTRNPC1RAB9APIK3CA | |
| SCHEMBL3443527 | 0.78 | SLC6A3 (0.49) | SLC6A4SLC6A3ALDH1A1LMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107033120-B | Preparation method of 2- (2, 2-difluorobenzo [ D ] [1,3] dioxol-5-yl) acetonitrile | 苏州旺山旺水生物医药有限公司 | 2020-03-17 | — | — | CN | disclosed |