Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28832445 | 0.81 | TRPV4 (0.44) | TRPV4KCNH2MAP4K4PIK3CAMINK1 | |
| SCHEMBL30329236 | 0.80 | ALDH1A1 (0.33) | P2RX7SLC6A9 | |
| SCHEMBL25164774 | 0.78 | LOXL2 (0.37) | PTGS2PTGS1 | |
| SCHEMBL30329310 | 0.78 | LOXL2 (0.37) | PTGS2PTGS1 | |
| SCHEMBL10123500 | 0.77 | TRPV4 (0.41) | TRPV4KCNH2MAP4K4PIK3CAMINK1 | |
| SCHEMBL688518 | 0.77 | TRPV4 (0.41) | TRPV4KCNH2MAP4K4PIK3CAMINK1 | |
| SCHEMBL18489377 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL24322112 | 0.76 | SMN1; SMN2 (0.45) | CYP2D6 | |
| SCHEMBL18489379 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL29515045 | 0.76 | SMN1; SMN2 (0.45) | CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4415706-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | Vanqua Bio, Inc. (US) | 2024-08-21 | — | — | EP | disclosed |
| WO-2023064343-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | VANQUA BIO, INC. (US) | 2023-04-20 | — | — | WO | disclosed |