Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | SCN8A | Q9UQD0 | 3/20 | 0.33 |
| ▸ | OXTR | P30559 | 2/20 | 0.33 |
| ▸ | SCN1A | P35498 | 2/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20165889 | 0.88 | SLC6A4 (0.45) | SLC6A4SCN8ASCN1AACACBSIGMAR1 | |
| SCHEMBL20176488 | 0.83 | SLC6A4 (0.40) | SLC6A4SCN8AOXTRSCN1AACACB | |
| SCHEMBL20176299 | 0.80 | SLC6A4 (0.47) | SLC6A4OXTRGRIN1GRIN2B | |
| SCHEMBL20165493 | 0.78 | SLC6A4 (0.45) | SLC6A4DRD4GRIN1GRIN2B | |
| SCHEMBL20165883 | 0.74 | SLC6A4 (0.39) | SLC6A4DRD4 | |
| SCHEMBL20176375 | 0.74 | SLC6A4 (0.55) | SLC6A4OXTRDRD4GRIN1GRIN2B | |
| Hydrochloric Acid SCHEMBL20168896 | 0.73 | SLC6A4 (0.38) | SLC6A4DRD4 | |
| SCHEMBL20165929 | 0.72 | SLC6A4 (0.38) | SLC6A4DRD4 | |
| SCHEMBL20176847 | 0.72 | SCN1A (0.32) | SCN8ASCN1A | |
| SCHEMBL20166160 | 0.71 | SLC6A4 (0.41) | SLC6A4OXTRDRD4GRIN1GRIN2B |
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-2018091687-A1 | NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION | INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) | 2018-05-24 | — | — | WO | disclosed |