Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL19663961 | 0.86 | CA14 (0.40) | CA14CA12HDAC6HDAC1HDAC2 | |
| SCHEMBL18285697 | 0.85 | CA14 (0.37) | CA14CA12HDAC6HDAC1HDAC2 | |
| SCHEMBL2153085 | 0.84 | CA14 (0.35) | CA14CA12CA1CA2CA7 | |
| SCHEMBL708096 | 0.82 | CA14 (0.37) | CA14CA12HDAC6HDAC1HDAC2 | |
| SCHEMBL708097 | 0.82 | CA14 (0.37) | CA14CA12HDAC6HDAC1HDAC2 | |
| SCHEMBL2253762 | 0.82 | CA14 (0.34) | CA14CA12HDAC6HDAC1HDAC2 | |
| SCHEMBL3838124 | 0.82 | CA14 (0.34) | CA14CA12HDAC6HDAC1HDAC2 | |
| SCHEMBL2253766 | 0.82 | CA14 (0.34) | CA14CA12HDAC6HDAC1HDAC2 | |
| SCHEMBL5133273 | 0.82 | CA14 (0.34) | CA14CA12HDAC6HDAC1HDAC2 | |
| SCHEMBL27612964 | 0.82 | CA14 (0.34) | CA14CA12HDAC6HDAC1HDAC2 |
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-116348453-A | Heteroaromatic carboxamide compounds and uses thereof | 烨辉医药科技(上海)有限公司 | 2023-06-27 | — | — | CN | disclosed |