Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28515551 | 0.86 | MEN1 (0.45) | MEN1KMT2ANPC1RAB9AAADAT | |
| SCHEMBL25629827 | 0.86 | MEN1 (0.41) | MEN1KMT2ANPC1RAB9AAADAT | |
| SCHEMBL21244412 | 0.84 | MEN1 (0.43) | MEN1KMT2ANPC1RAB9AAADAT | |
| SCHEMBL29037035 | 0.84 | KMT2A (0.43) | MEN1KMT2ANPC1RAB9AAADAT | |
| SCHEMBL19170474 | 0.78 | MEN1 (0.52) | MEN1KMT2ANPC1RAB9AAADAT | |
| SCHEMBL21244847 | 0.75 | PTGS2 (0.53) | MEN1KMT2ANPC1RAB9AAADAT | |
| SCHEMBL21245036 | 0.75 | MEN1 (0.49) | MEN1KMT2ANPC1RAB9AAADAT | |
| SCHEMBL25629852 | 0.73 | NPBWR1 (0.48) | KDM4EALDH1A1MAPTALOX15CMA1 | |
| SCHEMBL17459011 | 0.72 | MEN1 (0.49) | MEN1KMT2ANPC1RAB9AAADAT | |
| SCHEMBL27090763 | 0.71 | MEN1 (0.46) | MEN1KMT2ANPC1RAB9AAADAT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4198037-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2023-06-21 | — | — | EP | disclosed |