Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157371 | 0.89 | ACHE (0.44) | LMNAACHEALDH1A1MAPTADRA2A | |
| SCHEMBL20157585 | 0.86 | LMNA (0.45) | LMNAALDH1A1ADRA2AADRA1ACYP2D6 | |
| SCHEMBL18113374 | 0.86 | LMNA (0.45) | LMNAMAPTADRA2AADRA1ACYP2D6 | |
| SCHEMBL23457049 | 0.85 | ADRA2A (0.47) | LMNAMAPTADRA2AADRA1ACYP2D6 | |
| SCHEMBL31682604 | 0.85 | ADRA2A (0.47) | LMNAMAPTADRA2AADRA1ACYP2D6 | |
| SCHEMBL20157428 | 0.83 | MLKL (0.35) | LMNAACHEALDH1A1ADRA1ACYP2D6 | |
| SCHEMBL30057731 | 0.81 | AOC3 (0.47) | LMNAADRA2AADRA1ACYP2D6MAPK1 | |
| SCHEMBL28973547 | 0.77 | ACHE (0.65) | LMNAACHEALDH1A1MAPTKMT2A | |
| SCHEMBL8805726 | 0.77 | ACHE (0.65) | LMNAACHEALDH1A1MAPTKMT2A | |
| SCHEMBL20157931 | 0.77 | GAA (0.38) | LMNAACHECYP1A2 |
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-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| 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 |