Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 6/20 | 0.39 |
| ▸ | TDO2 | P48775 | 4/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1076208 | 0.81 | HSP90AA1 (0.45) | IDO1TDO2 | |
| SCHEMBL19953176 | 0.79 | GPBAR1 (0.47) | CYP3A4GPBAR1IDO1TDO2PDE2A | |
| SCHEMBL19953055 | 0.75 | PTGS2 (0.37) | EGLN2TRPM5PDE2APDE10A | |
| SCHEMBL19967304 | 0.74 | HSP90AA1 (0.49) | IDO1TDO2 | |
| SCHEMBL19953095 | 0.72 | PDE4B (0.38) | CYP3A4EGLN2TRPM5PDE2APDE10A | |
| SCHEMBL19953065 | 0.72 | TDO2 (0.46) | IDO1TDO2 | |
| SCHEMBL1075925 | 0.71 | HSP90AA1 (0.47) | — | |
| SCHEMBL19953047 | 0.69 | HSP90AA1 (0.45) | — | |
| SCHEMBL19953079 | 0.69 | HSP90AA1 (0.48) | IDO1 | |
| SCHEMBL19953116 | 0.67 | HSP90AA1 (0.43) | GPBAR1 |
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-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |