Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL1028104 | 0.78 | CA14 (0.41) | CA14HDAC6CA12CA1CA7 | |
| Hydrochloric Acid SCHEMBL3451895 | 0.76 | CA14 (0.40) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL19892598 | 0.75 | HDAC6 (0.37) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL12924143 | 0.75 | CA14 (0.47) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL28319882 | 0.75 | HDAC6 (0.37) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL15597263 | 0.74 | CA14 (0.41) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL505669 | 0.73 | CA14 (0.46) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL929384 | 0.73 | HDAC6 (0.36) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL6847180 | 0.73 | HDAC6 (0.36) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL12924141 | 0.73 | CA14 (0.46) | CA14HDAC6CA12CA1CA7 |
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-115010733-A | Coumarin modified phenylboronic acid derivative and preparation method thereof, curcumin dynamic covalent compound and preparation method and application thereof | 首都医科大学 | 2022-09-06 | — | — | CN | claimed |
| CN-115010733-A | Coumarin modified phenylboronic acid derivative and preparation method thereof, curcumin dynamic covalent compound and preparation method and application thereof | 首都医科大学 | 2022-09-06 | — | — | CN | disclosed |