Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.36 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27427610 | 0.86 | APP (0.42) | CES2CES1CA1CA2CA7 | |
| SCHEMBL27372250 | 0.86 | ACHE (0.68) | ACHELMNANFE2L2 | |
| SCHEMBL27882939 | 0.86 | SMN1; SMN2 (0.43) | CES2CES1HSD11B1ALDH1A1LMNA | |
| Fluorobenzene SCHEMBL27300498 | 0.84 | NFE2L2 (0.46) | ALDH1A1LMNANFE2L2 | |
| Formamide SCHEMBL28161914 | 0.79 | CES2 (0.43) | CES2CES1CA1CA2CA7 | |
| SCHEMBL27517155 | 0.79 | CES2 (0.43) | CES2CES1CA1CA9IDO1 | |
| Formic Acid SCHEMBL27369254 | 0.79 | CES2 (0.50) | CES2CES1CA1CA2CA7 | |
| SCHEMBL13499 | 0.76 | — | — | |
| SCHEMBL10306547 | 0.73 | — | — | |
| SCHEMBL2964 | 0.73 | — | — |
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 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831814-B | A kind of thieno [3,2-d] miazines HIV-1 reverse transcriptase inhibitor and its preparation method and application | 山东大学 | 2018-11-23 | — | — | CN | claimed |
| CN-108484577-A | A kind of pyrimidine-quinolones heterocomplex and its preparation method and application | 复旦大学 | 2018-09-04 | — | — | CN | claimed |
| CN-107376875-A | A kind of preparation and application of the beta cyclodextrin porous material with quick adsorption ability | 湖南理工学院 | 2017-11-24 | — | — | CN | claimed |
| CN-106831814-A | A kind of thieno [3,2 d] RTIs of miazines HIV 1 and its preparation method and application | 山东大学 | 2017-06-13 | — | — | CN | claimed |
| CN-1785993-B | Preparation and use of non-natural isocoumarin derivatives | UNIV NANKAI | 2012-03-14 | — | — | CN | claimed |
| CN-105683157-B | Sulfonamides as sodium channel modulators | 沃泰克斯药物股份有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-104926733-B | Compound as ROR gamma modulators | 北京韩美药品有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-105209458-B | It is novel that there is the active 1,2,4- oxadiazole compound of resisting gram-positive pathogen | 米兰比可卡大学 | 2019-01-04 | — | — | CN | disclosed |
| CN-109071457-A | Inhibitors of indoleamine 2, 3-dioxygenase | 荷兰转化研究中心有限责任公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108947868-A | The preparation process of one kind 2,4- difluorobenzonilyile | 山东师范大学 | 2018-12-07 | — | — | CN | disclosed |
| CN-106831814-B | A kind of thieno [3,2-d] miazines HIV-1 reverse transcriptase inhibitor and its preparation method and application | 山东大学 | 2018-11-23 | — | — | CN | disclosed |
| CN-108698982-A | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | 日产化学工业株式会社 | 2018-10-23 | — | — | CN | disclosed |
| CN-1228695-A | Substituted 1,2,3,4-tetrahydro-2-dibenzofuranamines and 2-aminocyclohepta [b] benzofurans | LILLY CO ELI (US) | 1999-09-15 | — | — | CN | disclosed |
| CN-1216986-A | Isoxazole derivatives | SANKYO CO (JP) | 1999-05-19 | — | — | CN | disclosed |
| CN-1214039-A | Carbamoyloxy derivatives of mutiline and their use as antibacterials | SMITHKLINE BEECHAM PLC (GB) | 1999-04-14 | — | — | CN | disclosed |
| CN-1160352-A | Diaza * -oxindoles as phosphodiesterase IV inhibitors | JOUVEINAL INST RECH (FR) | 1997-09-24 | — | — | CN | disclosed |
| CN-1106802-A | Tricyclic benzazepines (aza *) vasopressin antagonists | AMERICAN CYANAMID CO (US) | 1995-08-16 | — | — | CN | disclosed |
| CN-1023602-C | Antipsychotic 3-piperazinylbenzazole derivs. | JANSSEN PHARMACEUTICA NV (BE) | 1994-01-26 | — | — | CN | disclosed |
| CN-1040194-A | Psycholeptic 3-piperazinyl indole derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1990-03-07 | — | — | CN | disclosed |
| CN-88103277-A | Novel N-alkane sulfonyl aniline derivatives and preparation method thereof and the pharmaceutical composition that comprises this material | — | 1988-12-07 | — | — | CN | disclosed |