Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | USP1 | O94782 | 1/20 | 0.33 |
| ▸ | WDR48 | Q8TAF3 | 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 | |
|---|---|---|---|---|
| SCHEMBL24331166 | 1.00 | DHFR (0.46) | DHFRADORA2AADORA1EGFRCA12 | |
| SCHEMBL24309389 | 0.81 | ADORA2A (0.57) | DHFRADORA2AADORA1LMNAKMT2A | |
| SCHEMBL24330522 | 0.81 | LMNA (0.39) | DHFRADORA2AADORA1EGFRLMNA | |
| SCHEMBL29515400 | 0.81 | LMNA (0.39) | DHFRADORA2AADORA1EGFRLMNA | |
| SCHEMBL15757152 | 0.75 | SCN9A (0.54) | KMT2A | |
| SCHEMBL11145225 | 0.74 | XDH (0.51) | ADORA2AADORA1LMNA | |
| SCHEMBL24331130 | 0.72 | USP1 (0.33) | ADORA2AADORA1KMT2AUSP1 | |
| SCHEMBL29515161 | 0.72 | USP1 (0.33) | ADORA2AADORA1KMT2AUSP1 | |
| SCHEMBL3946692 | 0.71 | HSP90AA1 (0.64) | DHFREGFRLMNA | |
| SCHEMBL29566525 | 0.71 | HSP90AA1 (0.64) | DHFREGFRLMNA |
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 |