Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 7/20 | 0.46 |
| ▸ | PARP11 | Q9NR21 | 7/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8167365 | 0.82 | PARP11 (0.68) | PARP10PARP11GRM5PDPK1PARP1 | |
| SCHEMBL1159918 | 0.75 | PARP10 (0.59) | PARP10PARP11CYP2A6LMNAPDPK1 | |
| SCHEMBL13760475 | 0.73 | DRD2 (0.56) | PARP10PARP11PARP1 | |
| SCHEMBL8155750 | 0.70 | PARP10 (0.72) | PARP10PARP11PARP1 | |
| SCHEMBL8154044 | 0.70 | DAPK3 (0.55) | PARP10PARP11GRM5CYP3A4CLK4 | |
| SCHEMBL19142931 | 0.69 | CASP1 (0.47) | PARP10PARP11GRM5LMNAPARP1 | |
| SCHEMBL13512608 | 0.69 | PARP10 (0.64) | PARP10PARP11PARP1 | |
| SCHEMBL18199094 | 0.69 | PARP10 (0.54) | PARP10PARP11GRM5PARP1 | |
| SCHEMBL1094263 | 0.67 | HTR2C (0.62) | — | |
| SCHEMBL1105037 | 0.67 | HTR2C (0.62) | — |
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-2008151184-A1 | BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | VANDERBILT UNIVERSITY (US) | 2008-12-11 | — | — | WO | disclosed |