Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL29634700 | 1.00 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24409009 | 0.91 | HDAC3 (0.30) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29634711 | 0.91 | HDAC3 (0.30) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24408810 | 0.88 | — | — | |
| SCHEMBL24408809 | 0.82 | KCNH2 (0.32) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Trifluoroacetic Acid SCHEMBL29634713 | 0.78 | — | — | |
| SCHEMBL23305022 | 0.75 | CHRNB2 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29634703 | 0.70 | TRPM8 (0.34) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24408934 | 0.69 | — | — | |
| SCHEMBL29634708 | 0.69 | — | — |
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 |