Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.36 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL506217 | 0.87 | ABHD6 (0.40) | HDAC1HDAC6CYP1A2ABHD6ESR1 | |
| SCHEMBL506622 | 0.85 | ABHD6 (0.46) | ABHD6ESR1ESR2 | |
| SCHEMBL5095980 | 0.83 | ABHD6 (0.44) | HDAC1HDAC6CYP1A2ABHD6ESR1 | |
| SCHEMBL506312 | 0.80 | ESR1 (0.43) | ABHD6ESR1ESR2MAPK1 | |
| SCHEMBL507676 | 0.79 | ESR1 (0.52) | HDAC6ABHD6ESR1ESR2PKM | |
| SCHEMBL506664 | 0.78 | ABHD6 (0.63) | HDAC1HDAC6ABHD6ESR1ESR2 | |
| SCHEMBL17798326 | 0.78 | ESR1 (0.45) | HDAC1HDAC6ABHD6ESR1ESR2 | |
| SCHEMBL19949254 | 0.78 | CYP1A2 (0.52) | HDAC1HDAC6CYP1A2ABHD6KDM4E | |
| SCHEMBL5456815 | 0.75 | KDM4E (0.47) | HDAC1HDAC6CYP1A2ABHD6ESR2 | |
| SCHEMBL16518060 | 0.75 | CYP1A2 (0.47) | HDAC1HDAC6CYP1A2ABHD6ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |
| WO-2023088406-A1 | FUSED IMIDE DERIVATIVE | 正大天晴药业集团股份有限公司 | 2023-05-25 | — | — | WO | disclosed |