Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.48 |
| ▸ | CCR8 | P51685 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.40 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18179845 | 0.79 | CCR1 (0.58) | CCR1CCR5CCR8HTR1AADRA1D | |
| SCHEMBL24837289 | 0.78 | HTR1A (0.38) | HTR1AADRA1DADRA1AADRA1BMAOA | |
| SCHEMBL1337689 | 0.76 | HTR1A (0.61) | CCR1CCR5CCR8HTR1AADRA1D | |
| SCHEMBL10257047 | 0.75 | CCR1 (0.48) | CCR1CCR5CCR8HTR1AADRA1D | |
| SCHEMBL8032037 | 0.74 | CCR1 (0.69) | CCR1CCR5CCR8HTR1AADRA1D | |
| SCHEMBL21064345 | 0.74 | CCR1 (0.52) | CCR1CCR5CCR8HTR1AADRA1D | |
| SCHEMBL10290496 | 0.74 | NSD2 (0.50) | CCR1CCR5CCR8HTR1AADRA1D | |
| SCHEMBL24009011 | 0.71 | CCR1 (0.46) | CCR1CCR5CCR8HTR1AADRA1D | |
| SCHEMBL19660435 | 0.70 | CYP2A6 (0.44) | CYP1A2PDE10ACYP19A1ATP4AATP4B | |
| SCHEMBL24838540 | 0.70 | CCR1 (0.57) | CCR1CCR5CCR8HTR1AADRA1D |
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-2021225969-A1 | IMINO SULFANONE INHIBITORS OF ENPP1 | VOLASTRA THERAPEUTICS, INC. (US) | 2021-11-11 | — | — | WO | disclosed |