Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362748 | 0.88 | RXRA (0.40) | MAPTHTTNPC1MAPK1RXRA | |
| SCHEMBL20157704 | 0.88 | NPC1 (0.44) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20157492 | 0.84 | MAPT (0.57) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20157995 | 0.82 | MAPT (0.44) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20157720 | 0.82 | MAPT (0.44) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20158002 | 0.78 | MAPT (0.50) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20157430 | 0.78 | MAPT (0.60) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20157997 | 0.77 | MAPT (0.40) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL20157979 | 0.76 | MAPT (0.43) | MAPTALDH1A1LMNAHTTNPC1 | |
| SCHEMBL30294917 | 0.75 | LCK (0.48) | MAPTALDH1A1HTTAKR1C3NR4A1 |
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 |