Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24241378 | 1.00 | ALDH1A1 (0.33) | ALDH1A1CYP2C19CES1 | |
| SCHEMBL11995519 | 1.00 | ALDH1A1 (0.33) | ALDH1A1CYP2C19CES1 | |
| SCHEMBL13602734 | 0.78 | CES1 (0.32) | CES1 | |
| SCHEMBL13293107 | 0.76 | ALDH1A1 (0.32) | ALDH1A1CYP2C19 | |
| SCHEMBL18098201 | 0.76 | — | — | |
| SCHEMBL11989214 | 0.76 | ALDH1A1 (0.32) | ALDH1A1CYP2C19 | |
| SCHEMBL15203379 | 0.74 | ALDH1A1 (0.35) | ALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL2382593 | 0.74 | ALDH1A1 (0.30) | ALDH1A1CYP2C19 | |
| SCHEMBL17357651 | 0.72 | — | — | |
| SCHEMBL899354 | 0.71 | — | — |
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-2023154291-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |