Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.35 |
| ▸ | BCHE | P06276 | 5/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | Q9HBH1 | 1/20 | 0.31 | |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157726 | 0.90 | ACHE (0.34) | ACHEBCHEMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL21362523 | 0.88 | ACHE (0.33) | ACHEBCHEMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL20158055 | 0.83 | CA12 (0.38) | ACHEBCHEMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL21564703 | 0.76 | MAPT (0.33) | ALDH1A1HTTMEN1LMNAKMT2A | |
| SCHEMBL21550462 | 0.75 | NPC1 (0.36) | ALDH1A1MEN1LMNAKMT2AHPGD | |
| SCHEMBL20158011 | 0.72 | CA12 (0.38) | ACHEBCHEMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL20157485 | 0.71 | ALDH1A1 (0.41) | ACHEBCHEALDH1A1PDFCYP1A2 | |
| SCHEMBL21557859 | 0.70 | ALDH1A1 (0.40) | ACHEBCHEALDH1A1HDAC8PDF | |
| SCHEMBL20157679 | 0.70 | ALDH1A1 (0.40) | ACHEALDH1A1PDFCYP1A2CYP2C19 | |
| SCHEMBL21362443 | 0.70 | TAS2R14 (0.35) | ACHEBCHEMTNR1AMTNR1BALDH1A1 |
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 |