Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.37 |
| ▸ | DHFR | P00374 | 3/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | HTR6 | P50406 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26126504 | 1.00 | MCHR1 (0.40) | MCHR1ADORA2AADORA1HSP90AA1DHFR | |
| SCHEMBL24330396 | 0.82 | HSP90AA1 (0.42) | ADORA2AADORA1HSP90AA1DHFRNUDT1 | |
| SCHEMBL29515320 | 0.82 | HSP90AA1 (0.42) | ADORA2AADORA1HSP90AA1DHFRNUDT1 | |
| SCHEMBL24331937 | 0.79 | HSP90AA1 (0.42) | MCHR1ADORA2AADORA1HSP90AA1DHFR | |
| SCHEMBL24330522 | 0.79 | LMNA (0.39) | ADORA2AADORA1HSP90AA1DHFR | |
| SCHEMBL29515400 | 0.79 | LMNA (0.39) | ADORA2AADORA1HSP90AA1DHFR | |
| SCHEMBL24330533 | 0.78 | HSP90AA1 (0.35) | ADORA2AADORA1HSP90AA1HSP90AB1 | |
| SCHEMBL29515009 | 0.78 | HSP90AA1 (0.35) | ADORA2AADORA1HSP90AA1HSP90AB1 | |
| SCHEMBL30588615 | 0.77 | EZH2 (0.31) | CA1CA2CA7CA9IRAK4 | |
| SCHEMBL26126845 | 0.77 | EZH2 (0.31) | CA1CA2CA7CA9IRAK4 |
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-4504739-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2025-02-12 | — | — | EP | disclosed |
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |