Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5190106 | 1.00 | TSHR (0.48) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL145091 | 0.81 | TSHR (0.52) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL16116275 | 0.80 | TSHR (0.36) | TSHRIDO1AGXTALDH1A1ALOX15 | |
| Ethylene SCHEMBL28940632 | 0.79 | TSHR (0.50) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL11409221 | 0.78 | CA1 (0.41) | IDO1ALDH1A1CA1CA2CA9 | |
| SCHEMBL17615200 | 0.78 | TSHR (0.44) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL22297344 | 0.78 | TSHR (0.44) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL444619 | 0.78 | LOXL2 (0.38) | ALDH1A1CYP1A2CYP2C19KMT2A | |
| Butadiene SCHEMBL2164210 | 0.76 | TSHR (0.75) | TSHRIDO1AGXTALDH1A1CA1 | |
| SCHEMBL6995918 | 0.76 | TSHR (0.52) | TSHRIDO1AGXTALDH1A1CA1 |
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 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106573896-A | Fluoroalkylating agents | 庵原化学工业株式会社 | 2017-04-19 | — | — | CN | claimed |
| EP-2077999-B1 | HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE | CHROMA THERAPEUTICS LTD (GB) | 2014-07-30 | — | — | EP | claimed |
| CN-102858743-A | Spiro-condensed cyclohexane derivatives as HSL inhibitors useful for the treatment of diabetes | HOFFMANN LA ROCHE | 2013-01-02 | — | — | CN | claimed |
| CN-102421777-A | Azacyclospiro derivatives as HSL inhibitors | HOFFMANN LA ROCHE | 2012-04-18 | — | — | CN | claimed |
| CN-102171190-A | Insecticidal benzenedicarboxamide derivative | BAYER CROPSCIENCE AG | 2011-08-31 | — | — | CN | claimed |
| CN-101115754-B | 5-alkoxyalkyl-6-alkyl-7-amino-azolopyrimidines, method for their production, their use for controlling pathogenic fungi and agents containing said substances | BASF AG | 2010-11-10 | — | — | CN | claimed |
| CN-101611320-A | Method for detecting antibodies in body fluids by immunoreaction of glycoprotein 2(GP2) from zymogen granules of pancreas for diagnosing inflammatory bowel disease and chronic pancreatitis | GA GENERIC ASSAYS GMBH (DE) | 2009-12-23 | — | — | CN | claimed |
| CN-101374817-A | Trisubstituted amine compounds as inhibitors of cholesteryl ester transfer protein CETP | MITSUBISHI TANABE PHARMA CORP (JP) | 2009-02-25 | — | — | CN | claimed |
| CN-100436409-C | Derivative of substitutional taurine and preparation method | UNIV BEIJING (CN) | 2008-11-26 | — | — | CN | claimed |
| EP-1633754-B1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-06-11 | — | — | EP | claimed |
| CN-1110478-A | Indazolesulfonylurea derivative, use thereof, and intermediate for production thereof | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1995-10-18 | — | — | CN | claimed |
| CN-1025981-C | Herbicidal composition | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1994-09-28 | — | — | CN | claimed |
| CN-1078721-A | Picolinic acid and herbicidal composition | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1993-11-24 | — | — | CN | claimed |
| CN-1065862-A | The preparation method of pyrimidine derivatives and salt thereof | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1992-11-04 | — | — | CN | claimed |
| CN-1064586-A | The method of killing weeds | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1992-09-23 | — | — | CN | claimed |
| CN-1033050-A | Pyrimidine derivatives, process for producing the same, herbicidal composition containing the same, and herbicidal method | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1989-05-24 | — | — | CN | claimed |
| CN-1003712-B | Process for preparing 6- (1-acyl-1-hydroxymethyl or acetoxymethyl) penicillanic acid derivatives | 美国辉瑞有限公司 | 1989-03-29 | — | — | CN | claimed |
| CN-86102736-A | The preparation method and the application thereof of 6-(1-acyl group-1-methylol) penicillanic acid derivative | — | 1986-10-15 | — | — | CN | claimed |
| EP-0038758-B1 | AMINO-ACIDS DERIVATIVES AND THEIR THERAPEUTIC USE | SOCIETE CIVILE BIOPROJET (FR) | 1985-03-06 | — | — | EP | claimed |
| US-4276417-A | TREATMENT OF VASCULAR-CONDITION HYPERTENSION | HOFFMANN-LA ROCHE INC. (US) | 1981-06-30 | — | — | US | claimed |