Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15636724 | 1.00 | CA2 (0.64) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28385484 | 0.95 | CA2 (0.58) | CA2MAPK1TDP1USP2LMNA | |
| SCHEMBL514801 | 0.94 | CA2 (0.62) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL514800 | 0.94 | CA2 (0.62) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL30601865 | 0.91 | CA2 (0.68) | CA2MAPK1CHRM1TDP1TERT | |
| SCHEMBL1027173 | 0.89 | CA2 (0.59) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL3907830 | 0.89 | CHRM1 (0.61) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL3907831 | 0.89 | CHRM1 (0.61) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL4683751 | 0.89 | CA2 (0.59) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL9894412 | 0.88 | CA2 (0.57) | CA2MAPK1CHRM1AKR1A1CHRM3 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109928971-B | Aryl substituted aminotetrahydropyrans and uses thereof | 广东东阳光药业股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-111406056-B | Crystalline 2-amino-2- (hydroxymethyl) propane-1, 3-diol salts of selective ACC inhibitors | 辉瑞公司 | 2023-02-28 | — | — | CN | disclosed |
| CN-109897038-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维爱尔兰无限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-113874019-A | Combinations comprising benzodioxoles as GLP-1R agonists for the treatment of NASH/NAFLD and related diseases | 辉瑞大药厂 | 2021-12-31 | — | — | CN | disclosed |
| CN-107344941-B | Tetrahydropyrazolopyrimidine compounds | 卫材R&D管理有限公司 | 2020-04-21 | — | — | CN | disclosed |
| EP-3347097-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | Sunshine Lake Pharma Co., Ltd. (CN) | 2018-07-18 | — | — | EP | disclosed |
| WO-2017044434-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2017-03-16 | — | — | WO | disclosed |
| EP-3122728-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | Calitor Sciences, LLC (US) | 2017-02-01 | — | — | EP | disclosed |
| EP-3122729-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | Calitor Sciences, LLC (US) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015148868-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2015-10-01 | — | — | WO | disclosed |
| WO-2015148867-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2015-10-01 | — | — | WO | disclosed |
| EP-2903985-A1 | SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | Advinus Therapeutics Limited (IN) | 2015-08-12 | — | — | EP | disclosed |
| US-8987442-B2 | Deuterium-substituted xanthine derivatives and methods of use | CONCERT PHARMACEUTICALS, INC. (US) | 2015-03-24 | — | — | US | disclosed |
| WO-2014054053-A1 | SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | ADVINUS THERAPEUTICS LIMITED (IN) | 2014-04-10 | — | — | WO | disclosed |