Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | SLC6A9 | P48067 | 18/20 | 0.47 |
| ▸ | SLC6A5 | Q9Y345 | 9/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5556321 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP2D6SLC6A9SLC6A5OPRM1 | |
| SCHEMBL5556323 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP2D6SLC6A9SLC6A5OPRM1 | |
| SCHEMBL14573333 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP2D6SLC6A9SLC6A5OPRM1 | |
| SCHEMBL5563372 | 0.90 | ALDH1A1 (0.46) | ALDH1A1CYP2D6SLC6A9SLC6A5OPRM1 | |
| SCHEMBL5555960 | 0.85 | SLC6A9 (0.51) | SLC6A9SLC6A5OPRM1KCNH2OPRL1 | |
| SCHEMBL8286570 | 0.85 | SLC6A9 (0.51) | SLC6A9SLC6A5OPRM1KCNH2OPRL1 | |
| SCHEMBL5555961 | 0.85 | SLC6A9 (0.51) | SLC6A9SLC6A5OPRM1KCNH2OPRL1 | |
| SCHEMBL14573345 | 0.85 | SLC6A9 (0.48) | SLC6A9SLC6A5OPRM1KCNH2OPRL1 | |
| SCHEMBL5557070 | 0.85 | SLC6A9 (0.48) | SLC6A9SLC6A5OPRM1KCNH2OPRL1 | |
| SCHEMBL5557067 | 0.85 | SLC6A9 (0.48) | SLC6A9SLC6A5OPRM1KCNH2OPRL1 |
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-2005040166-A1 | TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-06 | — | — | WO | disclosed |