Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.39 |
| ▸ | KDM1A | O60341 | 4/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.37 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL9907850 | 0.88 | HTR5A (0.44) | HDAC1KDM1AHDAC6HDAC2HDAC11 | |
| SCHEMBL9907492 | 0.87 | PTGDR2 (0.42) | HDAC1KDM1AHDAC6HDAC2HDAC11 | |
| SCHEMBL9907489 | 0.84 | MAPK14 (0.42) | HDAC1KDM1AHDAC6HDAC2HDAC11 | |
| SCHEMBL9907826 | 0.79 | HTR5A (0.51) | MAPK14 | |
| SCHEMBL9907849 | 0.77 | HTR5A (0.45) | GRM2 | |
| SCHEMBL9907490 | 0.75 | KMO (0.48) | PTGDR2PTGS1MAPK14GRM2 | |
| SCHEMBL9907841 | 0.75 | HTR5A (0.48) | PTGDR2CYP2C9PTGS1SLC6A4CYP2C19 | |
| SCHEMBL9925360 | 0.75 | MAPK14 (0.41) | MAPK14 | |
| SCHEMBL9907431 | 0.74 | MAPK14 (0.51) | MAPK14 | |
| SCHEMBL9907852 | 0.74 | HTR5A (0.41) | PTGDR2 |
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-2463276-A1 | NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE | Astellas Pharma Inc. (JP) | 2012-06-13 | — | — | EP | disclosed |