Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 15/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | GOT1 | P17174 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL30643761 | 1.00 | NOTUM (0.42) | NOTUMKEAP1MAP3K5CYP19A1GOT1 | |
| SCHEMBL24240280 | 0.82 | NOTUM (0.48) | NOTUMKEAP1MAP3K5CYP19A1CYP1A2 | |
| SCHEMBL2086500 | 0.75 | NOTUM (0.42) | NOTUMKEAP1MAP3K5CYP19A1CYP1A2 | |
| SCHEMBL6482737 | 0.75 | ALDH1A1 (0.48) | NOTUMGOT1 | |
| SCHEMBL31359354 | 0.75 | SMN1; SMN2 (0.46) | NOTUMKEAP1MAP3K5 | |
| SCHEMBL503233 | 0.75 | SMN1; SMN2 (0.46) | NOTUMKEAP1MAP3K5 | |
| SCHEMBL17714528 | 0.73 | NOTUM (0.48) | NOTUM | |
| SCHEMBL30948251 | 0.72 | NOTUM (0.48) | NOTUMKEAP1MAP3K5CYP19A1 | |
| SCHEMBL3148048 | 0.71 | GOT1 (0.37) | GOT1CYP1A2 | |
| SCHEMBL17104832 | 0.71 | GOT1 (0.37) | GOT1CYP1A2 |
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-2009054789-A1 | 1,2,3-TRIAZOLE PYRROLIDINE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | claimed |