Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | USP1 | O94782 | 3/20 | 0.36 |
| ▸ | WDR48 | Q8TAF3 | 3/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29169833 | 0.90 | PTPN1 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1485527 | 0.84 | ROCK2 (0.41) | CYP2C9CYP2C19LMNAMEN1KMT2A | |
| SCHEMBL28003862 | 0.83 | CA12 (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL28445756 | 0.80 | ROCK2 (0.37) | ALDH1A1LMNASMN1; SMN2NPSR1ROCK2 | |
| Benzene SCHEMBL28765069 | 0.79 | CA1 (0.58) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL146177 | 0.79 | CA1 (0.58) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29613123 | 0.79 | CA1 (0.58) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29033296 | 0.79 | HDAC1 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25202551 | 0.78 | ROCK2 (0.55) | LMNAMEN1KMT2ANPSR1ROCK2 | |
| Hydrochloric Acid SCHEMBL28861669 | 0.77 | CA1 (0.56) | CA12CA1CA2CA9ALDH1A1 |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110408010-A | A kind of D-A type conjugated polymer of the lactone containing condensed ring and the preparation method and application thereof | NAT CT NANOSCIENCE & TECHNOLOGY CHINA | 2019-11-05 | — | — | CN | claimed |
| CN-107987849-A | A kind of liquid crystal aligning immunomodulator compounds and preparation method thereof | 烟台丰鲁精细化工有限责任公司 | 2018-05-04 | — | — | CN | claimed |
| CN-105585566-B | A kind of synthetic method of indone and Imidazopyridine compound | 河南师范大学 | 2017-12-29 | — | — | CN | claimed |
| CN-104926818-B | A kind of synthetic method of pyrazolo [5,1 a] isoindoles compound | 河南师范大学 | 2017-10-20 | — | — | CN | claimed |
| CN-105801582-A | Novel dihydro pteridinone derivative, preparing method thereof and application to medicine | 合肥工业大学 | 2016-07-27 | — | — | CN | claimed |
| CN-105801578-A | Synthetic method and application of half-saturation pyrazine derivative | 华南理工大学 | 2016-07-27 | — | — | CN | claimed |
| CN-105622625-A | Synthesis method of benzopyrone and imidazopyridine compound | UNIV HENAN NORMAL | 2016-06-01 | — | — | CN | claimed |
| CN-105585566-A | Method for synthesizing indene ketone and imidazole and pyridine compounds | UNIV HENAN NORMAL | 2016-05-18 | — | — | CN | claimed |
| CN-104926818-A | Method for synthesizing pyrazolo-[5, 1-alpha]isoindole compounds | UNIV HENAN NORMAL | 2015-09-23 | — | — | CN | claimed |
| WO-2023124205-A1 | ORGANIC COMPOUNDS, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS | 陕西莱特光电材料股份有限公司 | 2023-07-06 | — | — | WO | disclosed |
| WO-2023116888-A1 | FIVE- AND SIX-MEMBERED COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023098752-A1 | NOVEL NON-FLUORINATED QUINOLONE COMPOUND AND APPLICATION THEREOF | 广州白云山医药集团股份有限公司白云山制药总厂 | 2023-06-08 | — | — | WO | disclosed |
| WO-2023078411-A1 | AZASPIRO COMPOUND | 南京明德新药研发有限公司 | 2023-05-11 | — | — | WO | disclosed |
| WO-2020192581-A1 | WEE1 INHIBITOR AND PREPARATION AND USE THEREOF | 首药控股(北京)有限公司 | 2020-10-01 | — | — | WO | disclosed |
| CN-104059039-A | Fused ring compound with GPR40 receptor function adjusting effect | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD | 2014-09-24 | — | — | CN | disclosed |
| CN-102470158-A | Processes for preparing protease inhibitors of hepatitis c virus | MERCK SHARP & DOHME | 2012-05-23 | — | — | CN | disclosed |
| CN-102239152-A | Novel amide derivative and use thereof as medicine | MITSUBISHI TANABE PHARMA CORP | 2011-11-09 | — | — | CN | disclosed |
| EP-1581467-A4 | LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON | MASSACHUSETTS INST TECHNOLOGY (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1581467-A2 | LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004052939-A2 | LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2004-06-24 | — | — | WO | disclosed |