Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL11289134 | 0.89 | AGTR1 (0.56) | AGTR1MAPTTDP1L3MBTL1MEN1 | |
| SCHEMBL24309748 | 0.87 | L3MBTL1 (0.38) | KDM4EHSP90AA1HSP90AB1MAPTL3MBTL1 | |
| SCHEMBL24309613 | 0.80 | MAPT (0.44) | KDM4EAGTR1MAPTTDP1L3MBTL1 | |
| SCHEMBL24309283 | 0.79 | TDP1 (0.46) | KDM4EAGTR1MAPTTDP1L3MBTL1 | |
| SCHEMBL3473073 | 0.77 | TDP1 (0.76) | KDM4EHSP90AA1HSP90AB1AGTR1MAPT | |
| SCHEMBL24309752 | 0.77 | MAPK1 (0.57) | AGTR1MAPTTDP1L3MBTL1MEN1 | |
| SCHEMBL24309335 | 0.76 | HPGD (0.37) | MAPTL3MBTL1MEN1ALDH1A1HPGD | |
| SCHEMBL24309268 | 0.76 | BPTF (0.44) | KDM4EAGTR1MAPTTDP1L3MBTL1 | |
| SCHEMBL3289041 | 0.76 | MAPT (0.55) | KDM4EHSP90AA1HSP90AB1AGTR1MAPT | |
| SCHEMBL24287409 | 0.75 | MEN1 (0.58) | KDM4EHSP90AA1HSP90AB1AGTR1MAPT |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |