Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | HTT | P42858 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157994 | 0.89 | KMT2A (0.38) | MAPTHTTMAPK1RXRACA2 | |
| SCHEMBL20158141 | 0.83 | MAPT (0.41) | MAPTHTTNPC1TP53ALDH1A1 | |
| SCHEMBL20157995 | 0.83 | MAPT (0.44) | MAPTHTTRAB9ANPC1MAPK1 | |
| SCHEMBL21362472 | 0.78 | SRD5A2 (0.43) | MAPTHTTRAB9ANPC1MAPK1 | |
| SCHEMBL20157342 | 0.78 | SRD5A2 (0.43) | MAPTHTTRAB9ANPC1MAPK1 | |
| SCHEMBL20157705 | 0.77 | MAPT (0.49) | MAPTHTTRAB9ANPC1MAPK1 | |
| SCHEMBL20157979 | 0.77 | MAPT (0.43) | MAPTHTTRAB9ANPC1MAPK1 | |
| SCHEMBL21352204 | 0.76 | CHRNA7 (0.36) | MAPTHTTMAPK1RXRALMNA | |
| SCHEMBL20157492 | 0.74 | MAPT (0.57) | MAPTHTTRAB9ANPC1MAPK1 | |
| SCHEMBL21351880 | 0.72 | ALDH1A1 (0.39) | MAPTHTTALDH1A1NPSR1L3MBTL1 |
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 |