Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | HTT | P42858 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041086 | 0.90 | NPC1 (0.72) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL4456955 | 0.87 | NPC1 (0.59) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL1539237 | 0.87 | HTT (0.65) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL29869422 | 0.86 | NPC1 (0.82) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL20157317 | 0.86 | NPC1 (0.58) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL3638432 | 0.86 | HPGD (0.72) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL3642302 | 0.86 | NPC1 (0.82) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL10397387 | 0.85 | HTT (0.71) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL4843293 | 0.84 | ALDH1A1 (0.60) | NPC1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL9662542 | 0.84 | MAPT (0.68) | NPC1HTTMAPTNPSR1ALDH1A1 |
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 |