Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.53 |
| ▸ | HEXA | P06865 | 1/20 | 0.48 |
| ▸ | HEXB | P07686 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | C1S | P09871 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309495 | 1.00 | HSP90AA1 (0.53) | HSP90AA1HEXAHEXBADORA2AADORA1 | |
| SCHEMBL24309274 | 0.83 | HSP90AA1 (0.41) | HSP90AA1HEXAHEXBADORA2AADORA1 | |
| SCHEMBL5749301 | 0.81 | DHFR (0.47) | HSP90AA1NUDT1DHFRHSP90AB1MEN1 | |
| SCHEMBL29567313 | 0.80 | DHFR (0.45) | HSP90AA1ADORA2AADORA1DHFRHSP90AB1 | |
| SCHEMBL24309341 | 0.80 | DHFR (0.45) | HSP90AA1ADORA2AADORA1DHFRHSP90AB1 | |
| Hydrochloric Acid SCHEMBL5748008 | 0.80 | DHFR (0.46) | HSP90AA1NUDT1DHFRHSP90AB1MEN1 | |
| SCHEMBL30488032 | 0.80 | NUDT1 (0.50) | HSP90AA1HEXAHEXBADORA2AADORA1 | |
| SCHEMBL29044794 | 0.80 | NUDT1 (0.50) | HSP90AA1HEXAHEXBADORA2AADORA1 | |
| SCHEMBL24309264 | 0.78 | ADORA2A (0.66) | HSP90AA1ADORA2AADORA1HSP90AB1MEN1 | |
| SCHEMBL3952089 | 0.77 | HSP90AA1 (0.70) | HSP90AA1ADORA2AADORA1NUDT1DHFR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| EP-4225763-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2022076626-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |