Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157715 | 0.87 | BRD4 (0.33) | THRBMAPTBRD4ATMHDAC3 | |
| SCHEMBL20157434 | 0.83 | BRD4 (0.33) | THRBMAPTBRD4MAPK14ATM | |
| SCHEMBL21362394 | 0.79 | BRD4 (0.39) | THRBMAPTBRD4ALDH1A1LMNA | |
| SCHEMBL20158149 | 0.77 | GRM5 (0.33) | MAPTBRD4LMNAMAP2K2MAP2K1 | |
| SCHEMBL21352183 | 0.76 | BRD4 (0.36) | THRBMAPTBRD4MAPK14 | |
| SCHEMBL21352206 | 0.76 | BRD4 (0.36) | THRBMAPTBRD4MAPK14 | |
| SCHEMBL21352125 | 0.75 | BRD4 (0.34) | THRBMAPTBRD4ALDH1A1LMNA | |
| SCHEMBL21351829 | 0.74 | BRD4 (0.39) | THRBMAPTBRD4ATMSMN1; SMN2 | |
| SCHEMBL20157691 | 0.74 | MAP2K2 (0.45) | THRBMAPTBRD4ALDH1A1LMNA | |
| SCHEMBL21362395 | 0.74 | MAP2K2 (0.43) | THRBMAPTALDH1A1LMNAMAP2K2 |
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-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |