Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 6/20 | 0.46 |
| ▸ | CDK8 | P49336 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.33 |
| ▸ | NNMT | P40261 | 2/20 | 0.32 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | PRKCI | P41743 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157257 | 0.75 | CCNC (0.51) | CCNCCDK8ALDH1A1KDM4EGDA | |
| SCHEMBL7560908 | 0.74 | CCNC (0.50) | CCNCCDK8ALDH1A1KDM4EGDA | |
| SCHEMBL7116182 | 0.71 | CCNC (0.47) | CCNCCDK8ALDH1A1KDM4E | |
| SCHEMBL30317801 | 0.68 | CCNC (0.45) | CCNCCDK8GDA | |
| SCHEMBL19332726 | 0.67 | CCNC (0.44) | CCNCCDK8ALDH1A1KDM4E | |
| SCHEMBL7475587 | 0.65 | CCNC (0.42) | CCNCCDK8ALDH1A1KDM4EGDA | |
| SCHEMBL23863591 | 0.65 | PDPK1 (0.55) | ALDH1A1KDM4EGLAGAANNMT | |
| SCHEMBL3138229 | 0.65 | GRM1 (0.49) | CCNCCDK8ALDH1A1 | |
| SCHEMBL8537859 | 0.64 | KDM4E (0.39) | ALDH1A1KDM4EGLAGAANNMT | |
| SCHEMBL16116379 | 0.63 | CCNC (1.00) | CCNCCDK8 |
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-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |