Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 7/20 | 0.32 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.31 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | STK3 | Q13188 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.30 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2011598 | 0.89 | GRM5 (0.34) | GRM5MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL2012158 | 0.78 | PDE2A (0.36) | GRM5DGAT2KDM4EALDH1A1STK3 | |
| SCHEMBL1991789 | 0.69 | GRM5 (0.49) | GRM5MEN1KMT2APIK3CAMTOR | |
| SCHEMBL259847 | 0.67 | HTT (0.49) | MEN1KMT2APIK3CAJAK3KDM4E | |
| SCHEMBL27702476 | 0.65 | GPBAR1 (0.39) | GRM5KDM4ESLC6A7DPP4 | |
| SCHEMBL12611703 | 0.59 | CNR2 (0.57) | KMT2APIK3CAKDM4EALDH1A1MAPT | |
| SCHEMBL1990808 | 0.58 | KDM4E (0.43) | GRM5PIK3CAKDM4EALDH1A1STK3 | |
| SCHEMBL5129376 | 0.57 | GRM5 (0.46) | GRM5MEN1KMT2AKDM4EMAPT | |
| SCHEMBL21258034 | 0.56 | KCNH2 (0.47) | GRM5 | |
| SCHEMBL1990705 | 0.55 | ALDH1A1 (0.43) | GRM5MEN1KMT2AMTORKDM4E |
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-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |