Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2224185 | 0.89 | SMN1; SMN2 (0.48) | SMN1; SMN2KDM4EHSD17B10MTNR1AMTNR1B | |
| SCHEMBL10957439 | 0.73 | MTNR1A (0.49) | MTNR1AMTNR1B | |
| SCHEMBL14241869 | 0.67 | MTNR1A (0.72) | MTNR1AMTNR1B | |
| SCHEMBL31467898 | 0.67 | MEN1 (0.52) | SMN1; SMN2KDM4EMTNR1AMTNR1B | |
| SCHEMBL25707013 | 0.67 | SMN1; SMN2 (0.65) | SMN1; SMN2MTNR1AMTNR1B | |
| SCHEMBL1820807 | 0.66 | CA12 (0.69) | SMN1; SMN2MTNR1AMTNR1B | |
| SCHEMBL8871850 | 0.66 | MTNR1A (0.56) | MTNR1A | |
| SCHEMBL7193965 | 0.65 | CYP3A4 (0.51) | — | |
| SCHEMBL10957720 | 0.65 | SLC2A1 (0.50) | MTNR1AMTNR1B | |
| SCHEMBL31467946 | 0.65 | SMN1; SMN2 (0.45) | SMN1; SMN2KDM4EMTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011082700-A1 | A METHOD FOR THE PREPARATION OF 6,7-DIMETHOXY-1-[2-(4-TRIFLUOROMETHYLPHENYL)ETHYL]-3,4- DIHYDROISOQUINOLINE | ZENTIVA, K.S. (CZ) | 2011-07-14 | — | — | WO | disclosed |