Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA7 | P43166 | 4/20 | 0.58 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | XDH | P47989 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9121827 | 0.98 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7234945 | 0.98 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6734277 | 0.89 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31455886 | 0.89 | CA12 (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL166126 | 0.89 | TPMT (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17274803 | 0.89 | CA12 (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14301421 | 0.89 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1174380 | 0.89 | CA12 (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23699475 | 0.87 | KDM4E (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8006121 | 0.87 | KDM4E (0.50) | CA12CA1CA2CA7CA9 |
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-109232254-A | A kind of synthetic method and application of compound | 河北科技大学 | 2019-01-18 | — | — | CN | disclosed |