Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.38 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157512 | 0.87 | NPC1 (0.46) | NPC1SMN1; SMN2RAB9AFFAR4FFAR1 | |
| SCHEMBL20158051 | 0.85 | SMN1; SMN2 (0.39) | NPC1SMN1; SMN2RAB9AFFAR4FFAR1 | |
| SCHEMBL27709578 | 0.81 | NPC1 (0.51) | NPC1SMN1; SMN2RAB9AFFAR4FFAR1 | |
| SCHEMBL20157850 | 0.76 | MAPT (0.39) | NPC1SMN1; SMN2RAB9AFFAR4FFAR1 | |
| SCHEMBL21362429 | 0.75 | SMN1; SMN2 (0.41) | NPC1SMN1; SMN2RAB9AFFAR4FFAR1 | |
| SCHEMBL4440969 | 0.74 | CES2 (0.39) | NPC1SMN1; SMN2RAB9AKMT2AMEN1 | |
| SCHEMBL1121702 | 0.74 | NPC1 (0.55) | NPC1SMN1; SMN2RAB9AFFAR4FFAR1 | |
| SCHEMBL7703503 | 0.74 | FFAR4 (0.45) | NPC1SMN1; SMN2RAB9AFFAR4ALDH1A1 | |
| SCHEMBL3916859 | 0.73 | MAPT (0.54) | NPC1SMN1; SMN2RAB9AKMT2AALDH1A1 | |
| SCHEMBL18310131 | 0.72 | SMN1; SMN2 (0.47) | NPC1SMN1; SMN2RAB9AKMT2AMEN1 |
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 |