Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | 0.81 | AGTR1 (0.56) | AGTR1MAPTTDP1ADORA1ADORA3 | |
| SCHEMBL24309613 | 0.76 | MAPT (0.44) | AGTR1MAPTTDP1ADORA1ADORA3 | |
| SCHEMBL24310308 | 0.75 | KDM4E (0.50) | AGTR1MAPTTDP1ADORA1ADORA3 | |
| SCHEMBL24310500 | 0.74 | MAPT (0.61) | MAPTGAAKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL29567026 | 0.74 | MAPT (0.61) | MAPTGAAKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL24309283 | 0.72 | TDP1 (0.46) | AGTR1MAPTTDP1ADORA1ADORA3 | |
| SCHEMBL24310313 | 0.72 | SRC (0.30) | AGTR1 | |
| SCHEMBL24309752 | 0.70 | MAPK1 (0.57) | AGTR1MAPTTDP1ADORA1ADORA3 | |
| SCHEMBL24309268 | 0.69 | BPTF (0.44) | AGTR1MAPTTDP1ADORA1ADORA3 | |
| SCHEMBL24310492 | 0.68 | TDP1 (0.44) | AGTR1MAPTTDP1ADORA1ADORA3 |
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 |