Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL21362121 | 0.93 | BRD4 (0.34) | CREBBPPDE10ARAF1BRAFDRD2 | |
| SCHEMBL20157348 | 0.87 | HDAC10 (0.35) | RAF1BRAFTP53MEN1KMT2A | |
| SCHEMBL20157599 | 0.82 | MAPT (0.38) | RAF1BRAFTP53MAPTRAB9A | |
| SCHEMBL21362110 | 0.81 | BRD4 (0.34) | CREBBPPDE10A | |
| SCHEMBL20157755 | 0.80 | BRD4 (0.35) | RAF1BRAFMAPTKCNA5 | |
| SCHEMBL20157896 | 0.80 | BRD4 (0.35) | RAF1BRAFMAPTKCNA5 | |
| SCHEMBL20157351 | 0.80 | HDAC10 (0.36) | TP53DRD2MAPTALDH1A1KCNA5 | |
| SCHEMBL21362637 | 0.79 | BRD4 (0.33) | PDE10ARAF1BRAF | |
| SCHEMBL21352073 | 0.78 | GAA (0.35) | CREBBPMAPTALDH1A1 | |
| SCHEMBL21362132 | 0.78 | BRD4 (0.34) | TP53DRD2MAPTALDH1A1 |
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 |