Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24408905 | 1.00 | IRAK4 (0.34) | IRAK4CHRNB2CHRNA4HDAC3HDAC4 | |
| SCHEMBL24408815 | 0.82 | IRAK4 (0.34) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23304900 | 0.79 | IRAK4 (0.36) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29758566 | 0.79 | IRAK4 (0.36) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL24408808 | 0.78 | IRAK4 (0.33) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29634701 | 0.78 | IRAK4 (0.33) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL24409148 | 0.76 | OPRD1 (0.35) | IRAK4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL30172181 | 0.75 | HTR2C (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1787224 | 0.75 | HTR2C (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL10502464 | 0.74 | HTR2C (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |