Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.33 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.31 |
| ▸ | Q9HBH1 | 1/20 | 0.30 | |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 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 | 0.88 | ACHE (0.34) | ACHEBCHEALDH1A1MTNR1AMTNR1B | |
| SCHEMBL20158056 | 0.88 | ACHE (0.35) | ACHEBCHEALDH1A1MTNR1AMTNR1B | |
| SCHEMBL21362533 | 0.78 | ACHE (0.43) | ACHELSSBCHEALDH1A1PTPN1 | |
| SCHEMBL21564703 | 0.74 | MAPT (0.33) | ALDH1A1NPSR1HTT | |
| SCHEMBL21550462 | 0.73 | NPC1 (0.36) | ALDH1A1 | |
| SCHEMBL21362791 | 0.73 | ALDH1A1 (0.44) | ACHEALDH1A1NPSR1PTPN1PDF | |
| SCHEMBL20158011 | 0.71 | CA12 (0.38) | ACHEBCHEALDH1A1MTNR1AMTNR1B | |
| SCHEMBL20158055 | 0.70 | CA12 (0.38) | ACHEBCHEALDH1A1MTNR1AMTNR1B | |
| SCHEMBL21362443 | 0.69 | TAS2R14 (0.35) | ACHEBCHEALDH1A1MTNR1AMTNR1B | |
| SCHEMBL18393340 | 0.68 | MAPT (0.44) | PTPN1 |
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 |