Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27878308 | 0.73 | CA1 (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27580605 | 0.71 | CA1 (0.42) | CA1CA2CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL27580591 | 0.70 | CA12 (0.41) | CA1CA2CA12CA7CA9 | |
| SCHEMBL69897 | 0.69 | CA1 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9508150 | 0.69 | CA1 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9295482 | 0.67 | PTPRC (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21170614 | 0.66 | TRPA1 (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2880869 | 0.66 | PTPRC (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21383082 | 0.65 | ALDH1A1 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9511152 | 0.65 | KDM4E (0.52) | CA1CA2CA12CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-107889487-B | Bicyclic tetrahydrothiazepine derivatives for the treatment of tumor and/or infectious diseases | 阿派隆生物制剂股份公司 | 2021-09-03 | — | — | CN | disclosed |