Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | ACHE | P22303 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28791335 | 0.97 | TDP1 (0.67) | TDP1CYP3A4ACHETSHRALOX12 | |
| Toluene SCHEMBL25365395 | 0.97 | TDP1 (0.67) | TDP1CYP3A4ACHETSHRALOX12 | |
| Toluene SCHEMBL8320457 | 0.97 | TDP1 (0.67) | TDP1CYP3A4ACHETSHRALOX12 | |
| Toluene SCHEMBL3838520 | 0.95 | TDP1 (0.63) | TDP1CYP3A4ACHETSHRALOX12 | |
| Toluene SCHEMBL28862419 | 0.95 | TDP1 (0.63) | TDP1CYP3A4ACHETSHRALOX12 | |
| P-Xylene SCHEMBL10884475 | 0.94 | TDP1 (0.71) | TDP1CYP3A4ACHETSHRALOX12 | |
| Toluene SCHEMBL30515098 | 0.92 | TDP1 (0.60) | TDP1CYP3A4ACHETSHRALOX12 | |
| SCHEMBL12889884 | 0.92 | TDP1 (0.67) | TDP1CYP3A4ACHETSHRALOX12 | |
| P-Xylene SCHEMBL11109973 | 0.92 | TDP1 (0.67) | TDP1CYP3A4ACHETSHRALOX12 | |
| SCHEMBL49480 | 0.92 | TDP1 (0.67) | TDP1CYP3A4ACHETSHRALOX12 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117943057-A | Core-shell nanocrystalline of chalcogen compound with metal-amorphous structure, and preparation method and application thereof | 北京理工大学 | 2024-04-30 | — | — | CN | claimed |
| CN-108313999-A | A kind of preparation method of nitrogen, sulphur, phosphorus heteroatoms doping carbon material | 华南理工大学 | 2018-07-24 | — | — | CN | claimed |
| CN-117943057-A | Core-shell nanocrystalline of chalcogen compound with metal-amorphous structure, and preparation method and application thereof | 北京理工大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-116832543-A | Separation system and separation method of alkyl aluminoxane crude product | 中国石油化工股份有限公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-109776294-A | A kind of hydroformylation of olefin method | 中国石油化工股份有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-108802083-A | A kind of method of sulphur, chlorinity in measurement triphenylphosphine | 聊城煤武新材料科技有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-108313999-A | A kind of preparation method of nitrogen, sulphur, phosphorus heteroatoms doping carbon material | 华南理工大学 | 2018-07-24 | — | — | CN | disclosed |
| CN-102558511-B | Method for evaluating antimicrobial susceptibility of drugs | CHINESE ACAD INST CHEMISTRY | 2014-07-30 | — | — | CN | disclosed |
| CN-101434521-B | Method for synthesizing compound E10, E12-hexadecadienal in sex pheromone of legume pod borer | NINGBO NEWCON INC | 2012-09-05 | — | — | CN | disclosed |
| CN-102557941-A | Preparation method for intermediate compound of derivative of spiro-propyl formyl | CHENGDU CHEMPARTNER CO LTD | 2012-07-11 | — | — | CN | disclosed |
| CN-101602741-A | N-arylsulfonylheterocyamines amines as the replacement of inhibitors of gamma-secretase | SCHERING CORP (US) | 2009-12-16 | — | — | CN | disclosed |
| CN-101048393-A | Substituted N-arylsulfonyl heterocyclic amines as gamma-secretase inhibitors | SCHERING CORP (US) | 2007-10-03 | — | — | CN | disclosed |
| EP-1144400-B1 | PRODUCTION OF AQUEOUS SOLUTIONS OF MIXTURES OF FORMYLTETRAHYDROFURAN AND HYDRATES THEREOF | EASTMAN CHEM CO (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1144400-A1 | PRODUCTION OF AQUEOUS SOLUTIONS OF MIXTURES OF FORMYLTETRAHYDROFURAN AND HYDRATES THEREOF | EASTMAN CHEMICAL COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043379-A1 | PRODUCTION OF AQUEOUS SOLUTIONS OF MIXTURES OF FORMYLTETRAHYDROFURAN AND HYDRATES THEREOF | EASTMAN CHEMICAL COMPANY (US) | 2000-07-27 | — | — | WO | disclosed |
| US-5945549-A | Production of aqueous solutions of mixtures of formyltertrahydrofuran and hydrates thereof | EASTMAN CHEMICAL COMPANY (US) | 1999-08-31 | — | — | US | disclosed |
| US-5221774-A | Catalyst system containing nickel chloride, phosphine compound zinc and fluorinated organoacid | PHILLIPS PETROLEUM COMPANY (US) | 1993-06-22 | — | — | US | disclosed |