Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29515297 | 0.86 | HSP90AA1 (0.37) | ADORA2AADORA1HSP90AA1HSP90AB1PTPN1 | |
| SCHEMBL29515208 | 0.82 | PTPN1 (0.32) | ADORA2AADORA1HSP90AA1HSP90AB1PTPN1 | |
| SCHEMBL24331938 | 0.82 | PTPN1 (0.32) | ADORA2AADORA1HSP90AA1HSP90AB1PTPN1 | |
| SCHEMBL26870483 | 0.77 | TRPA1 (0.35) | PDK2HSP90AA1NUDT1TRPA1ATM | |
| SCHEMBL29515123 | 0.71 | ADORA2B (0.36) | ADORA2AALDH1A1HSP90AA1HSP90AB1NUDT1 | |
| SCHEMBL24332015 | 0.71 | ADORA2B (0.36) | ADORA2AALDH1A1HSP90AA1HSP90AB1NUDT1 | |
| SCHEMBL26688117 | 0.68 | ADORA2A (0.39) | ADORA2AADORA1ALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL29515168 | 0.68 | ADORA2A (0.39) | ADORA2AADORA1ALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL24331365 | 0.66 | HSP90AA1 (0.41) | ADORA2AADORA1HSP90AA1SRC | |
| SCHEMBL24310408 | 0.65 | KDM4E (0.32) | ALDH1A1HSP90AA1HSP90AB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225761-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076620-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |