Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL30758921 | 0.84 | CA4 (0.37) | CA4BBOX1 | |
| SCHEMBL29540929 | 0.83 | CA4 (0.38) | CA4BBOX1 | |
| SCHEMBL31596793 | 0.82 | CA4 (0.35) | CA4BBOX1 | |
| SCHEMBL31121005 | 0.81 | CA4 (0.39) | CA4BBOX1 | |
| SCHEMBL29396627 | 0.78 | FABP3 (0.43) | — | |
| SCHEMBL31621795 | 0.78 | FABP3 (0.43) | — | |
| SCHEMBL31536290 | 0.77 | FABP3 (0.45) | — | |
| SCHEMBL31570935 | 0.77 | FABP3 (0.45) | — | |
| SCHEMBL31031110 | 0.77 | FABP3 (0.45) | — | |
| SCHEMBL31151848 | 0.77 | FABP3 (0.33) | CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-11493516-B2 | Biomarkers for assessing breast cancer | METABOLOMYCS, INC (US) | 2022-11-08 | — | — | US | disclosed |