Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | LSS | P48449 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11142875 | 0.98 | HRH3 (0.63) | HRH3SMN1; SMN2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28269086 | 0.85 | LSS (0.66) | HRH3CYP3A4CYP2D6LSSHPGD | |
| SCHEMBL15467001 | 0.85 | HRH3 (0.87) | HRH3SMN1; SMN2MAPTHPGDALDH1A1 | |
| SCHEMBL3994683 | 0.81 | HRH3 (0.67) | HRH3CYP3A4CYP2D6CYP2C19LSS | |
| SCHEMBL4331523 | 0.81 | TDP1 (0.70) | HRH3CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL2208141 | 0.79 | HRH3 (0.71) | HRH3SMN1; SMN2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13442 | 0.79 | HRH3 (0.71) | HRH3SMN1; SMN2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10525513 | 0.79 | HRH3 (0.71) | HRH3SMN1; SMN2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL102338 | 0.79 | SIGMAR1 (0.71) | HRH3SMN1; SMN2HPGDALDH1A1LMNA | |
| SCHEMBL6200777 | 0.79 | SIGMAR1 (0.71) | HRH3SMN1; SMN2HPGDALDH1A1LMNA |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102245183-A | New compounds v | BIOVITRUM AB PUBL | 2011-11-16 | — | — | CN | claimed |
| CN-114746091-A | D-amphetamine compounds, compositions, and methods of making and using the same | 肯法姆股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-109678815-A | N- benzyl benzamide derivatives and preparation method thereof and pharmaceutical applications | 中国药科大学 | 2019-04-26 | — | — | CN | disclosed |
| EP-3050884-B1 | NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES | LIMITED LIABILITY COMPANY NATIONAL PHARMACEUTICAL TECH (RU) | 2019-04-03 | — | — | EP | disclosed |
| EP-3050884-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | Limited Liability Company "National Pharmaceutical (RU) | 2016-08-03 | — | — | EP | disclosed |
| CN-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |
| WO-2015047133-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" | 2015-04-02 | — | — | WO | disclosed |
| CN-104411311-A | Substituted benzamides and their use | UNIV LELAND STANFORD JUNIOR | 2015-03-11 | — | — | CN | disclosed |
| CN-103327972-A | Substituted benzamides and their uses | UNIV LELAND STANFORD JUNIOR | 2013-09-25 | — | — | CN | disclosed |
| CN-102245183-A | New compounds v | BIOVITRUM AB PUBL | 2011-11-16 | — | — | CN | disclosed |
| EP-0824524-B1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | UPJOHN CO (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |
| US-6043248-A | VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS | PHARMACIA & UPJOHN COMPANY (US) | 2000-03-28 | — | — | US | disclosed |
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035678-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-14 | — | — | WO | disclosed |
| US-4396765-A | ANTIASTHMATICS, BRONCHODILATORS | STERLING DRUG INC. (US) | 1983-08-02 | — | — | US | disclosed |
| US-4339576-A | Anti-asthmatic, anti-allergic, anti-cholinergic, bronchodilator and anti-inflammatory 1-[(benzoylphenyl)-lower-alkyl]piperidines and analogs thereof | STERLING DRUG INC. (US) | 1982-07-13 | — | — | US | disclosed |
| EP-0052311-A1 | 1-((Benzoylphenyl) - lower-alkyl) piperidines and carbinol analogs and preparation thereof | STERLING DRUG INC. (US) | 1982-05-26 | — | — | EP | disclosed |
| US-4304911-A | ANTIHISTAMINES, ANTIALLERGENS, ANTICHOLINERGIC AGENTS, ANTIINFLAMMATORY AGENTS, BRONCHODILATOR AGENTS, AND ANALGESICS | STERLING DRUG INC. (US) | 1981-12-08 | — | — | US | disclosed |