Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.38 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | TRPM5 | Q9NZQ8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19953169 | 0.72 | CYP3A4 (0.43) | EGLN2CYP3A4PDE2APDE10ATRPM5 | |
| SCHEMBL1074708 | 0.68 | PTGS2 (0.42) | PDE4DAOC3CYP3A4SLC22A1ABCB11 | |
| SCHEMBL19953055 | 0.68 | PTGS2 (0.37) | EGLN2PDE2APDE10ATRPM5 | |
| SCHEMBL24075077 | 0.63 | EGLN2 (0.42) | EGLN2 | |
| SCHEMBL20575403 | 0.62 | MYC (0.54) | AOC3SLC22A12 | |
| SCHEMBL23510074 | 0.62 | SLC22A12 (0.45) | PDE4BPDE4DAOC3SLC22A12 | |
| SCHEMBL30955009 | 0.61 | HDAC4 (0.36) | — | |
| SCHEMBL19967210 | 0.59 | CCR2 (0.34) | CYP3A4SLC22A12PDE2APDE10A | |
| SCHEMBL1110963 | 0.59 | PTGS2 (0.44) | AOC3 | |
| SCHEMBL19953203 | 0.58 | PTGS2 (0.43) | AOC3 |
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 |