Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157893 | 0.86 | NPC1 (0.41) | LOXL2MAPTMAPK1NPC1HTT | |
| SCHEMBL21564879 | 0.86 | CYP4F2 (0.37) | LOXL2CYP4F2CYP4A11NPSR1CYP1A2 | |
| SCHEMBL20157777 | 0.85 | CES2 (0.47) | HTTDGAT1KMT2ANR3C1 | |
| SCHEMBL20157821 | 0.83 | CYP4F2 (0.46) | CYP4F2CYP4A11MAPTNPC1TP53 | |
| SCHEMBL20157332 | 0.83 | NPC1 (0.40) | CYP4F2CYP4A11NPC1NPSR1CYP1A2 | |
| SCHEMBL20158071 | 0.83 | KMT2A (0.36) | LOXL2MAPTMAPK1NPC1HTT | |
| SCHEMBL20157960 | 0.81 | SRD5A2 (0.49) | CYP4F2CYP4A11MAPTMAPK1NPC1 | |
| SCHEMBL20158023 | 0.81 | ABL1 (0.45) | CYP4F2CYP4A11MAPTNPC1HTT | |
| SCHEMBL9726681 | 0.79 | CSNK2A1 (0.47) | LOXL2MAPTMAPK1NPC1HTT | |
| SCHEMBL7577366 | 0.79 | CSNK2A1 (0.43) | CYP4F2CYP4A11MAPTTSHRTHRB |
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 2 patents. 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 |
| 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 |