Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23042473 | 0.83 | CMA1 (0.43) | CMA1ALOX15TSHRCASP1 | |
| SCHEMBL23042474 | 0.83 | CMA1 (0.43) | CMA1ALOX15TSHRCASP1 | |
| SCHEMBL6803362 | 0.81 | ALOX15 (0.49) | CMA1ALOX15TSHRCASP1ALDH1A1 | |
| SCHEMBL22850490 | 0.77 | ALDH1A1 (0.46) | ALOX15TSHRCASP1ALDH1A1KMT2A | |
| SCHEMBL23042502 | 0.73 | CMA1 (0.45) | CMA1ALOX15TSHRCASP1 | |
| SCHEMBL23042501 | 0.73 | CMA1 (0.45) | CMA1ALOX15TSHRCASP1 | |
| SCHEMBL1667573 | 0.70 | SMN1; SMN2 (0.56) | CMA1ALOX15TSHRCASP1ALDH1A1 | |
| SCHEMBL1667049 | 0.70 | SMN1; SMN2 (0.56) | CMA1ALOX15TSHRCASP1ALDH1A1 | |
| SCHEMBL21028551 | 0.69 | — | — | |
| SCHEMBL19334529 | 0.68 | — | — |
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-2021040349-A1 | NOVEL HEPSIN INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING METASTATIC CANCER | 고려대학교 세종산학협력단 | 2021-03-04 | — | — | WO | disclosed |