Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2886330 | 0.78 | CA1 (0.56) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL11437477 | 0.77 | CA12 (0.34) | CA12CA1CA2CA9 | |
| SCHEMBL5475298 | 0.76 | TP53 (0.38) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL17870797 | 0.76 | TP53 (0.38) | CA12CA1CA2CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11601843 | 0.76 | CA1 (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8217213 | 0.75 | LCK (0.30) | — | |
| SCHEMBL10653844 | 0.74 | CA12 (0.36) | CA12CA1CA2CA9TP53 | |
| SCHEMBL4722760 | 0.72 | MAPT (0.36) | CA12CA1CA2CA9TSHR | |
| SCHEMBL4719766 | 0.68 | CA1 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL28282434 | 0.67 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922437-B | Bridged piperidine derivatives | 豪夫迈·罗氏有限公司 | 2021-12-10 | — | — | CN | disclosed |