Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ADH5 | P11766 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26551517 | 0.79 | HRH4 (0.47) | PCSK9CYP3A4CYP2E1CYP2A6ALDH1A1 | |
| SCHEMBL30558759 | 0.74 | ALDH1A1 (0.71) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6 | |
| SCHEMBL26547633 | 0.73 | PCSK9 (0.54) | PCSK9CYP3A4CYP2A6CYP2D6CYP1A2 | |
| SCHEMBL27585155 | 0.72 | CYP3A4 (0.59) | PCSK9CYP3A4CYP2E1CYP2A6ALDH1A1 | |
| SCHEMBL26550116 | 0.71 | CDK6 (0.46) | PCSK9CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL22241693 | 0.71 | PCSK9 (1.00) | PCSK9 | |
| SCHEMBL10022328 | 0.70 | ALDH1A1 (0.57) | PCSK9CYP3A4CYP2E1CYP2A6ALDH1A1 | |
| SCHEMBL6921057 | 0.69 | HCAR3 (0.55) | ALDH1A1HCAR3GAA | |
| SCHEMBL30305324 | 0.69 | ADH5 (0.66) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6 | |
| SCHEMBL8268417 | 0.69 | ALDH1A1 (0.65) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6 |
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 |