Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19002526 | 0.75 | POLB (0.42) | SLC6A3NOS1 | |
| SCHEMBL621509 | 0.74 | SLC6A3 (0.39) | SLC6A3NOS1OPRM1 | |
| SCHEMBL15318947 | 0.72 | SLC6A3 (0.36) | SLC6A3NOS1 | |
| SCHEMBL5898085 | 0.70 | — | — | |
| SCHEMBL8054640 | 0.69 | OPRM1 (0.39) | SLC6A3NOS1OPRM1 | |
| SCHEMBL323777 | 0.68 | NOS1 (0.36) | NOS1 | |
| SCHEMBL323961 | 0.68 | SLC6A3 (0.39) | SLC6A3NOS1 | |
| SCHEMBL115387 | 0.68 | — | — | |
| SCHEMBL11458947 | 0.67 | NOS1 (0.39) | SLC6A3NOS1 | |
| SCHEMBL3257324 | 0.66 | — | — |
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-103906750-B9 | Novel chiral N-acyl-5, 6,7, (8-substituted) -tetrahydro- [1, 2,4] triazolo [4, 3-a ] pyrazines as selective NK-3 receptor antagonists, pharmaceutical compositions, methods for use in NK-3 receptor mediated diseases and chiral synthesis thereof | 欧洲筛选有限公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-103906750-B | Novel chiral N-acyl-5, 6,7, (8-substituted) -tetrahydro- [1, 2,4] triazolo [4, 3-a ] pyrazines as selective NK-3 receptor antagonists, pharmaceutical compositions, methods for use in NK-3 receptor mediated diseases and chiral synthesis thereof | 欧洲筛选有限公司 | 2016-08-24 | — | — | CN | disclosed |