Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | DNM2 | P50570 | 2/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | MAP2K7 | O14733 | 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 | |
|---|---|---|---|---|
| SCHEMBL8346152 | 0.79 | CYP2C19 (0.44) | EGFRBRAFKDRMAPK14TNNI3K | |
| SCHEMBL26547873 | 0.79 | MAPK14 (0.38) | BRAFKDRMAPK14TNNI3KTHRB | |
| SCHEMBL17210140 | 0.75 | EGFR (0.56) | EGFRKMT2AL3MBTL1DNM2HCAR3 | |
| SCHEMBL5413456 | 0.74 | EGFR (0.38) | EGFRBRAFKDRMAPK14TNNI3K | |
| SCHEMBL7486936 | 0.69 | THRB (0.38) | THRBKMT2AALDH1A1HDAC1 | |
| SCHEMBL7489421 | 0.69 | THRB (0.38) | BRAFKDRMAPK14TNNI3KTHRB | |
| SCHEMBL3183099 | 0.69 | KDR (0.51) | EGFRBRAFKDRMAPK14TNNI3K | |
| SCHEMBL15114903 | 0.69 | EGFR (0.46) | EGFRTHRBL3MBTL1DNM2HCAR3 | |
| SCHEMBL15473168 | 0.68 | FAAH (0.43) | EGFRKMT2AFAAHALDH1A1 | |
| SCHEMBL374260 | 0.67 | EGFR (0.53) | EGFRTNNI3KKMT2AL3MBTL1DNM2 |
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-2023196975-A1 | COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC (US) | 2023-10-12 | — | — | WO | disclosed |