Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1493080 | 0.88 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL75112 | 0.82 | CYP3A4 (0.47) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL29648814 | 0.82 | CYP3A4 (0.47) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1513863 | 0.81 | CYP3A4 (0.47) | CYP3A4PARP1GABRA1GABRB2KDM4E | |
| SCHEMBL29648824 | 0.81 | CYP3A4 (0.47) | CYP3A4PARP1GABRA1GABRB2GRIN2D | |
| SCHEMBL59215 | 0.81 | CYP3A4 (0.47) | CYP3A4PARP1GABRA1GABRB2GRIN2D | |
| SCHEMBL7062055 | 0.81 | ALDH1A1 (0.47) | CYP3A4HSD11B1GABRA1GABRB2GRIN2D | |
| SCHEMBL1161021 | 0.81 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL3460968 | 0.80 | CYP3A4 (0.66) | CYP3A4HSD11B1PARP1GABRA1GABRB2 | |
| SCHEMBL1133625 | 0.80 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2TRPA1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111100732-B | Soap urethane lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2022-10-21 | — | — | CN | claimed |
| CN-111100732-A | Soap urethane lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2020-05-05 | — | — | CN | claimed |
| CN-109804487-A | The electrolyte comprising additive for high-energy rechargeable metal anode battery | 派立昂技术公司 | 2019-05-24 | — | — | CN | claimed |
| CN-109354662-A | Anti-infection material for built-in hemodialysis tube and preparation method thereof | 湖南博隽生物医药有限公司 | 2019-02-19 | — | — | CN | claimed |
| US-20090216006-A1 | COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION | XU HUI | 2009-08-27 | — | — | US | claimed |
| CN-111100732-B | Soap urethane lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-111100732-A | Soap urethane lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2020-05-05 | — | — | CN | disclosed |
| CN-109804487-A | The electrolyte comprising additive for high-energy rechargeable metal anode battery | 派立昂技术公司 | 2019-05-24 | — | — | CN | disclosed |
| CN-109608513-A | 18 β-enoxolone carbamate derivatives and its preparation method and application | 锦州医科大学 | 2019-04-12 | — | — | CN | disclosed |
| CN-109354662-A | Anti-infection material for built-in hemodialysis tube and preparation method thereof | 湖南博隽生物医药有限公司 | 2019-02-19 | — | — | CN | disclosed |
| WO-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| EP-1608373-A2 | TIE-2 MODULATORS AND METHODS OF USE | Exelixis Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1558582-A1 | DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2005012254-A1 | DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERTO | ARENA PHARMACEUTICALS, INC. (US) | 2005-02-10 | — | — | WO | disclosed |
| WO-2004083235-A2 | TIE-2 MODULATORS AND METHODS OF USE | EXELIXIS INC. (US) | 2004-09-30 | — | — | WO | disclosed |
| US-6316623-B1 | USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2001-11-13 | — | — | US | disclosed |