Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | TCF4 | P15884 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4962948 | 1.00 | NQO2 (0.53) | NQO2CES2CES1CA1CA2 | |
| SCHEMBL3071944 | 1.00 | NQO2 (0.53) | NQO2CES2CES1CA1CA2 | |
| SCHEMBL19659965 | 0.85 | NQO2 (0.44) | NQO2CES2CES1CA1CA2 | |
| SCHEMBL8564034 | 0.82 | ALDH1A1 (0.57) | NQO2CES2CES1CA1CA2 | |
| SCHEMBL24181271 | 0.80 | NQO2 (0.53) | NQO2CES2CES1CA1CA2 | |
| SCHEMBL6554966 | 0.80 | NQO2 (0.44) | NQO2PTGS1ALDH1A1KDM4E | |
| SCHEMBL2472466 | 0.80 | NQO2 (0.61) | NQO2PTGS1PTGS2MAPTALDH1A1 | |
| SCHEMBL6554972 | 0.80 | NQO2 (0.44) | NQO2PTGS1ALDH1A1KDM4E | |
| SCHEMBL8428783 | 0.79 | NQO2 (0.56) | NQO2CES2CES1CA1CA2 | |
| SCHEMBL8428781 | 0.79 | NQO2 (0.56) | NQO2CES2CES1CA1CA2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112321544-B | Chiral quaternary carbon cyanide and preparation method thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2023-05-26 | — | — | CN | disclosed |
| WO-2022127712-A1 | METHOD FOR STEREOSPECIFIC SYNTHESIS OF 2-ENAL AND 2-ENONE COMPOUNDS, AND DEUTERATED COMPOUNDS THEREOF | 复旦大学 | 2022-06-23 | — | — | WO | disclosed |
| CN-106414392-B | 6,7,8, 9-tetrahydro-5H-benzo [7] annulene-2-alkylamine compound and application thereof | 华东理工大学 | 2019-05-14 | — | — | CN | disclosed |
| CN-108117534-A | The oxygen-containing cycloaliphatic ring methylamines of benzo | 华东理工大学 | 2018-06-05 | — | — | CN | disclosed |
| CN-108084125-A | Benzheterocycle alkyl amine compound and application thereof | 华东理工大学 | 2018-05-29 | — | — | CN | disclosed |
| CN-107531613-A | Benzo cycloaliphatic ring substituted alkylamine class compound and application thereof | 华东理工大学 | 2018-01-02 | — | — | CN | disclosed |
| CN-105566262-B | Alkyl amine compound of benzofuran 7 and application thereof | 华东理工大学 | 2017-10-27 | — | — | CN | disclosed |
| EP-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| US-4975438-A | ANTICOAGULANT | HOFFMANN-LA ROCHE INC. (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |
| US-4788206-A | CARDIOVASCULAR DISORDERS, PLATELETS | HOFFMANN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |