Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CCR9 | P51686 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157951 | 0.86 | MAPT (0.47) | SRD5A2MAPTNPC1HTTMAPK1 | |
| SCHEMBL20157342 | 0.85 | SRD5A2 (0.43) | SRD5A2MAPTNPC1HTTMAPK1 | |
| SCHEMBL20157960 | 0.80 | SRD5A2 (0.49) | SRD5A2MAPTNPC1HTTMAPK1 | |
| SCHEMBL20157469 | 0.79 | POLB (0.47) | SRD5A2MAPTNPC1HTTMAPK1 | |
| SCHEMBL20157976 | 0.78 | MAPT (0.49) | SRD5A2MAPTNPC1HTTMAPK1 | |
| SCHEMBL21362472 | 0.75 | SRD5A2 (0.43) | SRD5A2MAPTNPC1HTTMAPK1 | |
| SCHEMBL20157557 | 0.75 | PTPN1 (0.39) | MAPTHTTALDH1A1LMNACA2 | |
| SCHEMBL9046172 | 0.74 | GAA (0.48) | ALDH1A1LMNACA2ALKBH5GAA | |
| SCHEMBL20157815 | 0.74 | KMT2A (0.40) | SRD5A2MAPTNPC1ALDH1A1LMNA | |
| SCHEMBL20157579 | 0.74 | TP53 (0.38) | MAPTHTTMAPK1ALDH1A1LMNA |
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 |