Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL19014686 | 0.69 | EPHX2 (0.38) | ALDH1A1DRD3 | |
| SCHEMBL6662082 | 0.62 | ALDH1A1 (0.45) | ALDH1A1 | |
| SCHEMBL17033019 | 0.62 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL21840907 | 0.62 | LMNA (0.43) | ALDH1A1ACHE | |
| SCHEMBL22813353 | 0.59 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL25336731 | 0.59 | LMNA (0.45) | ALDH1A1DRD3 | |
| SCHEMBL30554691 | 0.59 | LMNA (0.45) | ALDH1A1DRD3 | |
| SCHEMBL2557909 | 0.59 | EPHX2 (0.56) | ALDH1A1ACHE | |
| SCHEMBL14928448 | 0.58 | CYP1A2 (0.46) | ALDH1A1DRD3ACHE | |
| SCHEMBL24343596 | 0.58 | CASP3 (0.42) | ALDH1A1 |
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-2017106340-A1 | ISOTOPIC FLUORINATION AND APPLICATIONS THEREOF | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2017-06-22 | — | — | WO | disclosed |