Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNK | O75909 | 2/20 | 0.40 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4237398 | 0.83 | ABCB1 (0.42) | CCNKCDK12CCNA2CDK2OPRM1 | |
| SCHEMBL4222280 | 0.82 | CNR1 (0.36) | CCNKCDK12CCNA2CDK2CNR2 | |
| SCHEMBL4228168 | 0.78 | CCR6 (0.40) | CHRM2CHRM1CHRM3CCR6 | |
| Trifluoroacetic Acid SCHEMBL4227766 | 0.72 | MTTP (0.43) | CCNKCDK12CCNA2CDK2OPRK1 | |
| SCHEMBL4232751 | 0.68 | — | — | |
| SCHEMBL22304147 | 0.68 | TSHR (0.50) | ALDH1A1OPRK1HDAC6EPHX1 | |
| SCHEMBL6820877 | 0.61 | DPP4 (0.58) | USP30HCRTR1 | |
| SCHEMBL1597146 | 0.61 | DPP4 (0.58) | USP30HCRTR1 | |
| SCHEMBL15739611 | 0.61 | EGLN2 (0.51) | USP30 | |
| SCHEMBL507198 | 0.61 | CCR6 (0.55) | CCNKCDK12CCNA2CDK2CCR6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2096104-A1 | Organic diamines as mGluR7 modulators | Novartis AG (CH) | 2009-09-02 | — | — | EP | disclosed |