Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.45 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.45 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.45 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.45 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.45 |
| ▸ | CYP4F8 | P98187 | 2/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27268894 | 0.80 | HRH3 (0.42) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL27641967 | 0.78 | HRH3 (0.41) | TSHRLMNAHPGDMAOBALDH1A1 | |
| Benzene SCHEMBL27382614 | 0.77 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2566699 | 0.75 | TAAR1 (0.44) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL27763288 | 0.75 | HRH3 (0.42) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL973345 | 0.74 | — | — | |
| Propane SCHEMBL27948872 | 0.72 | CYP3A4 (0.46) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| Propane SCHEMBL27289276 | 0.72 | CYP3A4 (0.46) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| Methoxymethane SCHEMBL27679801 | 0.72 | CYP3A4 (0.59) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| Propane SCHEMBL27933229 | 0.72 | CYP3A4 (0.46) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104130257-B | One-dimensional organic semiconductor spiral nano-wires with fluorescence response upon organic amine gases, and preparation method and application thereof | 中国科学院化学研究所 | 2017-02-15 | — | — | CN | claimed |
| CN-102690258-A | Nitrogenous heterocyclic-imide derivative and preparation method and purpose thereof | HUBEI BIOPESTICIDE ENGINEERING RES CT | 2012-09-26 | — | — | CN | claimed |
| CN-1665801-B | Anti tubercular drug: compositions and methods | DEPT OF HEALTH AND HUMAN SERVI | 2011-05-11 | — | — | CN | claimed |
| CN-101311162-B | Method for preparing 2,5-dimethoxy phenylethylamine | ZHEJIANG GENEBEST PHARMACEUTICAL CO LTD | 2010-04-14 | — | — | CN | claimed |
| CN-101311162-A | Method for preparing 2,5-dimethoxy phenylethylamine | FUYANG GENEBEST CHEMICAL INDUS (CN) | 2008-11-26 | — | — | CN | claimed |
| CN-109952301-A | 5-HT2C receptor agonists and compositions and methods of use | 艾尼纳制药公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-104684548-A | Abuse deterrent pharmaceutical compositions for controlled release | EGALET LTD | 2015-06-03 | — | — | CN | disclosed |
| CN-104130257-A | One-dimensional organic semiconductor spiral nano-wires with fluorescence response upon organic amine gases, and preparation method and application thereof | CHINESE ACAD INST CHEMISTRY | 2014-11-05 | — | — | CN | disclosed |
| CN-101679273-B | 1-substituted tetrahydroisoquinoline compound | ASTELLAS PHARMA INC | 2013-03-06 | — | — | CN | disclosed |
| CN-102911163-A | Quinazoline derivatives, composition containing derivatives and pharmaceutical application of derivatives | Hangzhou minsheng pharmaceutical co ltd | 2013-02-06 | — | — | CN | disclosed |
| CN-101511586-B | Surface-treated resin, method for producing the same, and use of the same | OMRON TATEISI ELECTRONICS CO | 2012-11-07 | — | — | CN | disclosed |
| CN-102690258-A | Nitrogenous heterocyclic-imide derivative and preparation method and purpose thereof | HUBEI BIOPESTICIDE ENGINEERING RES CT | 2012-09-26 | — | — | CN | disclosed |
| CN-1301981-C | Medicinal composition containing 1,3-thiazine derivative | SHIONOGI & CO (JP) | 2007-02-28 | — | — | CN | disclosed |
| CN-1247553-C | 2-imino-1,3-thiazine derivs. | SHIONOGI & CO (JP) | 2006-03-29 | — | — | CN | disclosed |
| CN-1665801-A | Anti tubercular drug: compositions and methods | DEPT OF HEALTH AND HUMAN SERVI (US) | 2005-09-07 | — | — | CN | disclosed |
| CN-1514831-A | Medicinal composition containing 1,3-thiazine derivative | ��Ұ����ҩ��ʽ���� | 2004-07-21 | — | — | CN | disclosed |
| CN-1387519-A | 2-imino-1, 3-thiazine derivatives | SHIONOGI & CO (JP) | 2002-12-25 | — | — | CN | disclosed |
| CN-1067070-C | Berberine analogs as topoisomerase inhibitors | UNIV RUTGERS (US) | 2001-06-13 | — | — | CN | disclosed |
| CN-1211252-A | Coralyne analogs as topoisomerase inhibitors | UNIV RUTGERS (US) | 1999-03-17 | — | — | CN | disclosed |
| CN-1069882-A | The Compounds and methods for that suppresses HIV and correlated virus | MEDIVIR AB (CH) | 1993-03-17 | — | — | CN | disclosed |