Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | GPER1 | Q99527 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29137075 | 0.88 | HDAC3 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL29302330 | 0.88 | HDAC3 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL29953301 | 0.83 | CA12 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL12527219 | 0.83 | CA12 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL5879121 | 0.81 | L3MBTL1 (0.47) | L3MBTL1ALDH1A1HPGDCA12CA1 | |
| SCHEMBL3786493 | 0.81 | L3MBTL1 (0.44) | L3MBTL1ALDH1A1HPGDCA12CA1 | |
| SCHEMBL10262546 | 0.80 | PKM (0.59) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL3025158 | 0.79 | HDAC3 (0.54) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL3025161 | 0.79 | HDAC3 (0.54) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL1527578 | 0.78 | KDM4E (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |