Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | MC3R | P41968 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL60768 | 0.81 | FFAR3 (0.44) | HDAC8HDAC3HDAC1HDAC2ALDH1A1 | |
| Bicarbonate SCHEMBL378701 | 0.81 | FFAR3 (0.44) | HDAC8HDAC3HDAC1HDAC2ALDH1A1 | |
| Malonic Acid SCHEMBL217701 | 0.79 | LDHA (0.56) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| Malonic Acid SCHEMBL1615278 | 0.79 | LDHA (0.56) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| Malonic Acid SCHEMBL1615262 | 0.79 | LDHA (0.56) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL22152 | 0.78 | FFAR3 (0.50) | HDAC8HDAC3HDAC1HDAC2ALDH1A1 | |
| Oxalic Acid SCHEMBL216302 | 0.78 | FFAR3 (0.41) | HDAC8HDAC3HDAC1HDAC2ALDH1A1 | |
| Acetic Acid SCHEMBL16244302 | 0.78 | FFAR3 (0.50) | HDAC8HDAC3HDAC1HDAC2ALDH1A1 | |
| Bicarbonate SCHEMBL4800891 | 0.78 | FFAR3 (0.41) | HDAC8HDAC3HDAC1HDAC2ALDH1A1 | |
| Bicarbonate SCHEMBL4312446 | 0.78 | FFAR3 (0.41) | HDAC8HDAC3HDAC1HDAC2ALDH1A1 |
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-109776522-A | Substituted heteroaryl compound and combinations thereof and purposes | 广东东阳光药业有限公司 | 2019-05-21 | — | — | CN | disclosed |