Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 13/20 | 0.77 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.77 |
| ▸ | CA12 | O43570 | 4/20 | 0.73 |
| ▸ | CA1 | P00915 | 4/20 | 0.73 |
| ▸ | CA2 | P00918 | 4/20 | 0.73 |
| ▸ | CA9 | Q16790 | 4/20 | 0.73 |
| ▸ | CA4 | P22748 | 1/20 | 0.73 |
| ▸ | CA6 | P23280 | 1/20 | 0.73 |
| ▸ | CA5A | P35218 | 1/20 | 0.73 |
| ▸ | CA7 | P43166 | 1/20 | 0.73 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.73 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.73 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.70 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.70 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.70 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.70 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.70 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.70 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.70 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL29940238 | 1.00 | HDAC1 (0.77) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL28463571 | 1.00 | HDAC1 (0.77) | HDAC1HDAC6CA12CA1CA2 | |
| Hemibastadin 1 SCHEMBL4751505 | 0.89 | PLK4 (0.82) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL28449765 | 0.88 | HDAC1 (0.75) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL28449763 | 0.88 | HDAC1 (0.75) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL29939752 | 0.88 | HDAC1 (0.75) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL22401371 | 0.87 | HDAC1 (1.00) | HDAC1HDAC6CA12CA1CA2 | |
| Psammaplin A SCHEMBL12521616 | 0.87 | HDAC1 (0.91) | HDAC1HDAC6CA12CA1CA2 | |
| Psammaplin A SCHEMBL29367050 | 0.87 | HDAC1 (0.91) | HDAC1HDAC6CA12CA1CA2 | |
| Psammaplin A SCHEMBL364511 | 0.87 | HDAC1 (0.91) | HDAC1HDAC6CA12CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111548286-A | PSA derivative with HDAC3 inhibitory activity and application thereof | 沈阳药科大学 | 2020-08-18 | — | — | CN | claimed |
| CN-111548286-B | PSA derivative with HDAC3 inhibitory activity and application thereof | 沈阳药科大学 | 2022-09-06 | — | — | CN | disclosed |
| CN-111548286-A | PSA derivative with HDAC3 inhibitory activity and application thereof | 沈阳药科大学 | 2020-08-18 | — | — | CN | disclosed |