Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ATM | Q13315 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1819491 | 0.88 | KDM4E (0.54) | CA1CA2CA7CA9HDAC3 | |
| SCHEMBL7609327 | 0.88 | KDM4E (0.56) | CA1CA2CA7CA9HTR2A | |
| SCHEMBL4781793 | 0.88 | KDM4E (0.52) | CA1CA2CA7CA9HTR2A | |
| SCHEMBL28840807 | 0.87 | KDM4E (0.57) | CA1CA2CA7CA9HTR2A | |
| SCHEMBL30953726 | 0.85 | HTR2A (0.50) | CA1CA2CA7CA9HTR2A | |
| SCHEMBL13791454 | 0.84 | HDAC3 (0.60) | CA1CA2CA7CA9HTR2A | |
| SCHEMBL7959375 | 0.83 | KDM4E (0.56) | CA1CA2CA7CA9HDAC3 | |
| SCHEMBL3953983 | 0.82 | KDM4E (0.60) | CA1CA2CA7CA9HTR2C | |
| SCHEMBL4346066 | 0.82 | HSD11B1 (0.45) | HTR2AHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3594528 | 0.80 | RAF1 (0.46) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429440-B | Prodrug of spiro compound, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-113264945-B | Spiro derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113429440-A | Prodrug of spiro compound, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2021-09-24 | — | — | CN | disclosed |
| CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-08-17 | — | — | CN | disclosed |