Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 16/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.51 |
| ▸ | HTR1A | P08908 | 11/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL22837277 | 0.79 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3HTR1AHRH1 | |
| SCHEMBL20176359 | 0.75 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3CES2CES1 | |
| SCHEMBL1329573 | 0.69 | HDAC4 (0.42) | SLC6A2SLC6A4SLC6A3CES2BCHE | |
| SCHEMBL30824567 | 0.69 | HDAC4 (0.42) | SLC6A2SLC6A4SLC6A3CES2BCHE | |
| SCHEMBL20176345 | 0.68 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3HTR1A | |
| Hydrochloric Acid SCHEMBL20165490 | 0.67 | SLC6A2 (0.96) | SLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL20176407 | 0.67 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3HTR1ATRPA1 | |
| SCHEMBL8966569 | 0.66 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3HTR1AHRH1 | |
| SCHEMBL27859496 | 0.66 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3HTR1ATRPA1 | |
| SCHEMBL20607377 | 0.66 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3HTR1ATRPA1 |
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 |