Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28321534 | 0.80 | HDAC3 (0.62) | HDAC3HDAC1HDAC6EGLN1ALDH1A1 | |
| SCHEMBL28960067 | 0.75 | HDAC8 (0.40) | HDAC3HDAC1HDAC6POLBTP53 | |
| SCHEMBL30095490 | 0.75 | HDAC3 (0.59) | HDAC3HDAC1HDAC6EGLN1ALDH1A1 | |
| SCHEMBL17801486 | 0.75 | HDAC3 (0.59) | HDAC3HDAC1HDAC6EGLN1ALDH1A1 | |
| SCHEMBL28899157 | 0.73 | BRD4 (0.40) | HDAC3HDAC1HDAC6ALDH1A1POLB | |
| SCHEMBL30095463 | 0.73 | BRD4 (0.40) | HDAC3HDAC1HDAC6ALDH1A1POLB | |
| SCHEMBL28899171 | 0.72 | HDAC3 (0.58) | HDAC3HDAC1HDAC6EGLN1ALDH1A1 | |
| SCHEMBL8168895 | 0.71 | HDAC3 (0.55) | HDAC3HDAC1HDAC6EGLN1ALDH1A1 | |
| SCHEMBL26066726 | 0.71 | HDAC3 (0.52) | HDAC3HDAC1HDAC6EGLN1ALDH1A1 | |
| SCHEMBL26066725 | 0.70 | HDAC3 (0.54) | HDAC3HDAC1HDAC6EGLN1ALDH1A1 |
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-109456308-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-03-12 | — | — | CN | disclosed |