Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL28658382 | 0.78 | TPMT (0.33) | HDAC3HDAC1HDAC2HDAC6PSEN1 | |
| SCHEMBL23878152 | 0.77 | HDAC3 (0.34) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL25564135 | 0.75 | DRD2 (0.37) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL28715604 | 0.75 | S1PR2 (0.35) | — | |
| SCHEMBL25564311 | 0.74 | HDAC3 (0.37) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL25564232 | 0.74 | HDAC3 (0.37) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL25564314 | 0.74 | HDAC3 (0.37) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL2572169 | 0.73 | AKR1C1 (0.42) | PARP1 | |
| SCHEMBL28658350 | 0.72 | KCNN4 (0.47) | HDAC3HDAC1HDAC2HDAC6RORC | |
| SCHEMBL29021138 | 0.71 | NPC1 (0.33) | — |
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-113272301-B | Heterocyclic compound, intermediate, preparation method and application thereof | 武汉朗来科技发展有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-111377917-B | Heterocyclic compound, intermediate, preparation method and application thereof | 武汉朗来科技发展有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-113272301-A | Heterocyclic compound, intermediate, preparation method and application thereof | 武汉朗来科技发展有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-111377917-A | Heterocyclic compound, intermediate, preparation method and application thereof | 武汉朗来科技发展有限公司 | 2020-07-07 | — | — | CN | disclosed |