Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157702 | 0.88 | ATM (0.40) | LMNAS1PR1BRD4SLC6A2SLC6A4 | |
| SCHEMBL21362758 | 0.80 | S1PR3 (0.38) | S1PR1BRD4MAPK1S1PR3 | |
| SCHEMBL20157931 | 0.78 | GAA (0.38) | LMNASLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL21362626 | 0.78 | ALDH1A1 (0.31) | LMNACYP3A4CYP2D6CYP2C19MLKL | |
| SCHEMBL20157428 | 0.78 | MLKL (0.35) | LMNABRD4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL20157996 | 0.73 | — | — | |
| SCHEMBL16169582 | 0.71 | ALDH1A1 (0.41) | LMNABRD4CYP3A4CYP2C19MLKL | |
| SCHEMBL15958523 | 0.71 | LMNA (0.59) | LMNAS1PR1CYP3A4MAPK1 | |
| SCHEMBL20157371 | 0.71 | ACHE (0.44) | LMNABRD4MEN1MAPTKMT2A | |
| SCHEMBL21352143 | 0.71 | BRD4 (0.34) | BRD4THRBKMT2A |
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 |