Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ALPG | P10696 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.31 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL21351900 | 0.78 | CNR2 (0.35) | KMT2ALMNASMN1; SMN2ALDH1A1ALPG | |
| SCHEMBL20157564 | 0.77 | LMNA (0.42) | MAPK14KMT2ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL20158053 | 0.74 | C5AR1 (0.36) | LMNAALDH1A1CNR2HTT | |
| SCHEMBL20157556 | 0.74 | LMNA (0.44) | KMT2ALMNASMN1; SMN2ALDH1A1ALPG | |
| SCHEMBL20158052 | 0.73 | LMNA (0.39) | MAPK14KMT2ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL23318417 | 0.72 | ALOX5 (0.49) | AAK1KMT2ALMNASMN1; SMN2TDP1 | |
| SCHEMBL22946389 | 0.72 | ALOX5 (0.49) | AAK1KMT2ALMNASMN1; SMN2TDP1 | |
| SCHEMBL17041586 | 0.72 | TRPM8 (0.37) | AAK1APP | |
| SCHEMBL29531722 | 0.72 | ALOX5 (0.49) | AAK1KMT2ALMNASMN1; SMN2TDP1 | |
| SCHEMBL21362448 | 0.72 | ABCC9 (0.42) | — |
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 |