Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.56 |
| ▸ | TACR2 | P21452 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | SHBG | P04278 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7628223 | 1.00 | PTGS2 (0.70) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL9122379 | 1.00 | PTGS2 (0.70) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL9420945 | 0.97 | PTGS2 (0.67) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL2871788 | 0.97 | PTGS2 (0.68) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| Ethylene SCHEMBL28058312 | 0.95 | PTGS2 (0.64) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL1187883 | 0.92 | PTGS2 (0.61) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL1187238 | 0.92 | PTGS2 (0.61) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL1186501 | 0.92 | PTGS2 (0.61) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL1187931 | 0.92 | PTGS2 (0.61) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL1186551 | 0.92 | PTGS2 (0.61) | PTGS2CYP3A4GPR84ESR1ADRA2A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113200812-B | 1,3,5-trisubstituted aryl compound synthesis method | 天津大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-113200812-A | Synthesis method of 1,3, 5-trisubstituted aryl compound | 天津大学 | 2021-08-03 | — | — | CN | disclosed |
| US-5756730-A | Process for preparing analgesic compounds | SANKYO COMPANY, LIMITED (JP) | 1998-05-26 | — | — | US | disclosed |
| US-5656758-A | AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND | SANKYO COMPANY, LIMITED (JP) | 1997-08-12 | — | — | US | disclosed |
| US-5512567-A | KAPPA-RECEPTOR AGONISTS | SANKYO COMPANY, LIMITED (JP) | 1996-04-30 | — | — | US | disclosed |
| US-5385721-A | X-ray radiology and computer tomography; uniform coating of the soft tissues; medical diagnosis | STERLING WINTHROP INC. (US) | 1995-01-31 | — | — | US | disclosed |
| EP-0609589-A2 | Compositions of alkylbenzenes in film-forming materials for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | disclosed |
| EP-0609588-A2 | Compositions of alkylbenzenes for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | disclosed |
| US-5334370-A | X-ray contrast mixtures for diagnostic radiology consisting of iodo alkylbenzene, a polysaccharide salt or a anionic polymers | STERLING WINTHROP INC. (US) | 1994-08-02 | — | — | US | disclosed |
| US-5308607-A | FOR USE IN DIAGNOSTIC RADIOLOGY | STERLING WINTHROP INC. (US) | 1994-05-03 | — | — | US | disclosed |
| US-5270327-A | Piperidine derivatives | SANKYO COMPANY, LIMITED (JP) | 1993-12-14 | — | — | US | disclosed |
| EP-0356247-B1 | ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES | Sankyo Company Limited (JP) | 1993-03-17 | — | — | EP | disclosed |
| US-5021413-A | Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them | SANKYO COMPANY LIMITED (JP) | 1991-06-04 | — | — | US | disclosed |
| EP-0207737-B1 | PROCESS FOR THE STABILIZATION OF MERCAPTOBENZOTHIAZOLE IN A LUBRICATING OIL COMPOSITION | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1990-12-19 | — | — | EP | disclosed |
| EP-0356247-A1 | Analgesic carboxylic acid amide derivatives | Sankyo Company Limited (JP) | 1990-02-28 | — | — | EP | disclosed |
| EP-0207737-A2 | Process for the stabilization of mercaptobenzothiazole in a lubricating oil composition | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1987-01-07 | — | — | EP | disclosed |
| US-4589991-A | FORMING AN AMINE SALT OF MERCAPTOBENZOTHIAZOLE, DISSOLVING IN AROMATIC ETHER SOLVENT | EXXON RESEARCH & ENGINEERING CO. (US) | 1986-05-20 | — | — | US | disclosed |