Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Monoethanolamine SCHEMBL29072595 | 0.90 | TSHR (0.52) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Allyl Alcohol SCHEMBL27867941 | 0.86 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| SCHEMBL27305425 | 0.86 | TSHR (0.67) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| SCHEMBL30955955 | 0.85 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Allylamine SCHEMBL11208723 | 0.84 | TSHR (0.64) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| SCHEMBL379584 | 0.84 | TSHR (0.64) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| SCHEMBL9491969 | 0.84 | TSHR (0.64) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Butadiene SCHEMBL21933110 | 0.83 | TSHR (0.76) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Propene SCHEMBL436529 | 0.81 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Propene SCHEMBL6243344 | 0.81 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116559247-B | Biotoxicity early warning and tracing method and system suitable for industrial park drainage system | 浙江百诺数智环境科技股份有限公司 | 2024-05-07 | — | — | CN | claimed |
| CN-117164275-A | Preparation method of concrete pore-forming agent | 乌鲁木齐胜达天利建材科技有限公司 | 2023-12-05 | — | — | CN | claimed |
| CN-110720463-B | Plant growth regulating composition and regulator thereof | 郭徐澄 | 2023-06-30 | — | — | CN | claimed |
| CN-115656163-A | Method for measuring water quality anionic surfactant | 遵义市精科信检测有限公司 | 2023-01-31 | — | — | CN | claimed |
| CN-113930111-B | Water-based flame-retardant energy-saving anticorrosive paint and preparation method thereof | 洛阳双瑞防腐工程技术有限公司 | 2022-07-22 | — | — | CN | claimed |
| CN-106496618-B | Laser hollow-out processing liquid for fruit buttons and laser hollow-out fruit buttons | 浙江伟星实业发展股份有限公司 | 2022-02-08 | — | — | CN | claimed |
| CN-113930111-A | Water-based flame-retardant energy-saving anticorrosive paint and preparation method thereof | 洛阳双瑞防腐工程技术有限公司 | 2022-01-14 | — | — | CN | claimed |
| CN-113310915-A | Method for measuring content of residual linear alkyl benzene sodium sulfonate in beer | 荆门市食品药品质量检验所 | 2021-08-27 | — | — | CN | claimed |
| CN-108091878-B | Preparation method of graphene carbon nanotube composite conductive framework for lithium-sulfur battery | 四川华昆能源有限责任公司 | 2020-06-09 | — | — | CN | claimed |
| CN-110923031-A | Preparation method of biomass fuel | 西安圣华农业科技股份有限公司 | 2020-03-27 | — | — | CN | claimed |
| CN-110917555-A | Space full-coverage guide type magnetoelectric water mist fire extinguishing material and fire extinguishing device | 西安科技大学 | 2020-03-27 | — | — | CN | claimed |
| CN-108059886-B | A kind of thick-slurry type fluoro coatings and preparation method thereof | 上海三爱富新材料科技有限公司 | 2019-11-26 | — | — | CN | claimed |
| CN-108609992-A | A kind of seismic crack aerated bricks and preparation method thereof | 贵州华帅新型环保建材有限公司 | 2018-10-02 | — | — | CN | claimed |
| CN-108059886-A | A kind of thick-slurry type fluoro coatings and preparation method thereof | 上海三爱富新材料科技有限公司 | 2018-05-22 | — | — | CN | claimed |
| US-8449667-B2 | Sealing reagent for aluminum alloy | BYD CO. LTD. (CN) | 2013-05-28 | — | — | US | claimed |
| US-20120295996-A1 | Fire Retardant Composition | HARBIN BOYUAN BIOLOGIC TECHNOLOGY CO., LTD. (CN) | 2012-11-22 | — | — | US | claimed |
| CN-1354227-A | Oil-based ternary mixed fuel composed of coal, water and oil | INST OF PHYSICOCHEMICAL TECHNO (CN) | 2002-06-19 | — | — | CN | claimed |
| US-20240074434-A1 | COMPOSITION INCLUDING EFFERVESCENT AGENTS, BIOSTIMULANT, NUTRIENT, AND PESTICIDE | ROBBINS JEFFREY HANSON (US) | 2024-03-07 | — | — | US | disclosed |
| CN-1036779-A | Plastic foam material | HUELS CHEMISCHE WERKE AG (DE) | 1989-11-01 | — | — | CN | disclosed |
| CN-85103368-A | Process for synthesizing polyvinyl chloride paste | — | 1986-11-12 | — | — | CN | disclosed |