Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 5/20 | 0.41 |
| ▸ | CLK3 | P49761 | 5/20 | 0.41 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25431149 | 0.83 | RAB9A (0.53) | CHEK1ALDH1A1TNIK | |
| SCHEMBL26547901 | 0.81 | ROCK2 (0.46) | ALDH1A1TNIKPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL30579362 | 0.77 | CYP3A4 (0.54) | CHEK1CYP3A4ALDH1A1CYP1A2TNIK | |
| SCHEMBL10022326 | 0.77 | CYP3A4 (0.54) | CHEK1CYP3A4ALDH1A1CYP1A2TNIK | |
| SCHEMBL2318425 | 0.74 | CYP3A4 (0.59) | CHEK1CYP3A4ALDH1A1CYP1A2TNIK | |
| SCHEMBL26551519 | 0.73 | FLT3 (0.62) | CYP3A4ALDH1A1CYP1A2FLT3CYP2A6 | |
| SCHEMBL3078162 | 0.73 | CYP3A4 (0.89) | CYP3A4ALDH1A1CYP1A2HPGDSCYP2A6 | |
| SCHEMBL28207587 | 0.73 | ALDH1A1 (0.61) | CHEK1CYP3A4ALDH1A1CYP1A2HPGDS | |
| SCHEMBL9564384 | 0.72 | FLT3 (0.48) | CYP3A4ALDH1A1CYP1A2FLT3CYP2A6 | |
| SCHEMBL30872899 | 0.72 | CYP3A4 (0.51) | CHEK1CYP3A4ALDH1A1CYP1A2TNIK |
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 |