Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.80 |
| ▸ | CA9 | Q16790 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL1512953 | 0.89 | — | — | |
| SCHEMBL165 | 0.89 | — | — | |
| SCHEMBL9005288 | 0.89 | — | — | |
| SCHEMBL17536139 | 0.80 | — | — | |
| SCHEMBL461657 | 0.80 | — | — | |
| SCHEMBL672625 | 0.80 | CA1 (0.80) | CA1CA9ALDH1A1TSHRTDP1 | |
| SCHEMBL447001 | 0.80 | — | — | |
| SCHEMBL1774535 | 0.80 | CA1 (0.80) | CA1CA9ALDH1A1TSHRTDP1 | |
| SCHEMBL674048 | 0.80 | — | — | |
| SCHEMBL11418636 | 0.80 | — | — |
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-2021139395-A1 | HIGH-EFFICIENCY LOW-TOXICITY ANTI-CANCER COMPOUND SYNTHESIZED BY AUTOCATALYSIS IN CELLS AND LIVING BODIES AND SYNTHESIS METHOD FOR ANTI-CANCER COMPOUND | 南京师范大学 | 2021-07-15 | — | — | WO | disclosed |