Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.44 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.44 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.44 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL27861728 | 0.91 | TSHR (0.65) | TSHRCYP1A2CES2CES1ORAI1 | |
| Chlorobenzene SCHEMBL1669887 | 0.87 | — | — | |
| Chlorobenzene SCHEMBL28416694 | 0.86 | TSHR (0.58) | TSHRCYP1A2CES2CES1ORAI1 | |
| Chlorobenzene SCHEMBL27334792 | 0.85 | TSHR (0.65) | TSHRCYP1A2CES2CES1ORAI1 | |
| Chlorobenzene SCHEMBL28853010 | 0.85 | TSHR (0.65) | TSHRCYP1A2CES2CES1ORAI1 | |
| Chlorobenzene SCHEMBL27500933 | 0.85 | TSHR (0.65) | TSHRCYP1A2CES2CES1ORAI1 | |
| Chlorobenzene SCHEMBL3119838 | 0.85 | TSHR (0.65) | TSHRCYP1A2CES2CES1ORAI1 | |
| Chlorobenzene SCHEMBL28301912 | 0.83 | — | — | |
| Chlorobenzene SCHEMBL6364167 | 0.83 | — | — | |
| Chlorobenzene SCHEMBL27345408 | 0.83 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110201721-A | Complex compound | 庄信万丰股份有限公司 | 2019-09-06 | — | — | CN | disclosed |
| CN-105944761-B | A kind of sulfaquinoxaline cobalt nickel nanocomposite and preparation method thereof | 宁波大学 | 2018-06-15 | — | — | CN | disclosed |
| CN-107556366-A | Compound, preparation method and the usage with saltant type isocitric dehydrogenase inhibitory activity | 上海海和药物研究开发有限公司 | 2018-01-09 | — | — | CN | disclosed |
| CN-104887678-B | Purposes of the benzoyl polyhydroxy cyclohexene in pharmaceutical composition is prepared | 复旦大学 | 2017-11-17 | — | — | CN | disclosed |
| CN-106661071-A | Complex compounds | 庄信万丰股份有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106268557-A | The catalyst of micro encapsulation | 里艾克沙有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-105944761-A | Sulfaquinoxaline cobalt-nickel nano composite material and preparation method thereof | 宁波大学 | 2016-09-21 | — | — | CN | disclosed |
| CN-105218418-A | A kind of preparation method of thioether | UNIV YICHUN | 2016-01-06 | — | — | CN | disclosed |
| CN-104887678-A | Uses of benzoyl polyhydroxy cyclohexene in preparation of drug compositions | UNIV FUDAN | 2015-09-09 | — | — | CN | disclosed |
| CN-103626677-B | Crystallizing method for preparing high-purity 4-bromomethyl-2-cyanobiphenyl | UNIV TIANJIN | 2015-07-15 | — | — | CN | disclosed |
| CN-103626677-A | Crystallizing method for preparing high-purity 4-bromomethyl-2-cyanobiphenyl | UNIV TIANJIN | 2014-03-12 | — | — | CN | disclosed |
| CN-101829602-B | Catalytic system for preparing N-Boc-aromatic amine compounds and preparation method and application thereof | ZHENZHOU TETRANOV BIOPHARM CO LTD | 2012-09-26 | — | — | CN | disclosed |
| CN-102316972-A | Microencapsulated catalysts | REAXA LTD | 2012-01-11 | — | — | CN | disclosed |
| CN-101829602-A | Catalytic system for preparing N-Boc-aromatic amine compounds and preparation method and application thereof | ZHENZHOU TETRANOV BIOPHARM CO LTD | 2010-09-15 | — | — | CN | disclosed |
| CN-101456826-A | Method for preparing 2-chloro-4-fluorobenzene nitrile | ZHANGJIAGANG HUASHENG CHEMICAL (CN) | 2009-06-17 | — | — | CN | disclosed |
| CN-101395472-A | Method for predicting biological systems responses | CELLUMEN INC (US) | 2009-03-25 | — | — | CN | disclosed |