Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 2/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4040717 | 0.82 | NOTUM (0.37) | CYP2C19TP53CHRNB2CHRNA4NOTUM | |
| SCHEMBL4041989 | 0.78 | NOTUM (0.48) | CYP3A4CYP2C9CYP2C19USP30CTSS | |
| SCHEMBL4220273 | 0.75 | NOTUM (0.62) | CYP3A4CYP2C9CYP2C19USP30SCD | |
| SCHEMBL4050874 | 0.74 | TP53 (0.39) | CYP3A4CYP2C9CYP2C19USP30SCD | |
| SCHEMBL23604131 | 0.72 | CLK4 (0.44) | CYP3A4CYP2C9CYP2C19USP30SCD | |
| SCHEMBL4049004 | 0.72 | TP53 (0.43) | CYP3A4CYP2C9CYP2C19USP30CTSS | |
| SCHEMBL7218000 | 0.71 | GABRG2 (0.44) | CLK4GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL31052365 | 0.70 | TBXAS1 (0.48) | — | |
| SCHEMBL25269527 | 0.70 | TBXAS1 (0.48) | — | |
| SCHEMBL1795060 | 0.69 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19SCDSCD5 |
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-2027128-A2 | FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS | Astra Zeneca AB (SE) | 2009-02-25 | — | — | EP | claimed |
| WO-2007130825-A2 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS | ASTRAZENECA AB (SE) | 2007-11-15 | — | — | WO | claimed |