Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24408808 | 1.00 | IRAK4 (0.33) | IRAK4CHEK1CHEK2HDAC3HDAC4 | |
| SCHEMBL29634720 | 0.78 | IRAK4 (0.34) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL24408905 | 0.78 | IRAK4 (0.34) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL24408815 | 0.78 | IRAK4 (0.34) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29634725 | 0.77 | KDM4E (0.34) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22582992 | 0.75 | IRAK4 (0.38) | IRAK4GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL24409148 | 0.72 | OPRD1 (0.35) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28753038 | 0.71 | GPR119 (0.47) | — | |
| SCHEMBL863433 | 0.71 | OPRD1 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23811371 | 0.69 | CHRNB2 (0.43) | IRAK4HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022095971-A1 | SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海医药集团股份有限公司 | 2022-05-12 | — | — | WO | disclosed |