Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 8/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8287288 | 0.88 | SLC18A3 (0.55) | SLC18A3SIGMAR1 | |
| SCHEMBL8285369 | 0.88 | SLC18A3 (0.44) | SLC18A3SIGMAR1 | |
| SCHEMBL8288007 | 0.88 | SLC18A3 (0.49) | SLC18A3SIGMAR1 | |
| SCHEMBL5557067 | 0.85 | SLC6A9 (0.48) | CA12CA1CA2CA4CA5A | |
| SCHEMBL5557070 | 0.85 | SLC6A9 (0.48) | CA12CA1CA2CA4CA5A | |
| SCHEMBL14573345 | 0.85 | SLC6A9 (0.48) | CA12CA1CA2CA4CA5A | |
| SCHEMBL8287620 | 0.85 | CA12 (0.42) | SLC18A3CYP2D6ALDH1A1CA12CA1 | |
| SCHEMBL27539703 | 0.84 | CA12 (0.43) | SLC18A3CYP2D6SIGMAR1TSHRSMN1; SMN2 | |
| SCHEMBL27455915 | 0.84 | CA12 (0.43) | SLC18A3CYP2D6SIGMAR1TSHRSMN1; SMN2 | |
| SCHEMBL8285372 | 0.80 | SLC18A3 (0.50) | SLC18A3CYP2D6TSHRSMN1; SMN2ALDH1A1 |
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-1678177-B1 | TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | HOFFMANN LA ROCHE (CH) | 2007-11-28 | — | — | EP | disclosed |
| 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 |