Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.35 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL20928768 | 0.78 | ACHE (0.36) | ACHEL3MBTL1ACVR2ATGFBR2FGFR2 | |
| SCHEMBL19203777 | 0.78 | ACHE (0.36) | ALDH1A1ACHEL3MBTL1ACVR2ATGFBR2 | |
| SCHEMBL31278345 | 0.78 | CDK1 (0.36) | ACHEL3MBTL1ACVR2ATGFBR2FGFR2 | |
| SCHEMBL19629678 | 0.77 | FGFR2 (0.36) | ALDH1A1ACHEL3MBTL1ACVR2ATGFBR2 | |
| SCHEMBL25791763 | 0.77 | HPGD (0.38) | ACHEL3MBTL1ACVR2ATGFBR2FGFR2 | |
| SCHEMBL19769065 | 0.77 | IKBKB (0.39) | ALDH1A1ACHEL3MBTL1ACVR2ATGFBR2 | |
| SCHEMBL11991739 | 0.77 | DRD1 (0.34) | CYP3A4ACHEL3MBTL1ACVR2ATGFBR2 | |
| SCHEMBL21736901 | 0.75 | TDO2 (0.33) | — | |
| SCHEMBL25791543 | 0.74 | FGFR2 (0.35) | ALDH1A1ACHEL3MBTL1ACVR2ATGFBR2 | |
| SCHEMBL23624591 | 0.74 | MAOA (0.40) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19 |
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 |