Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3871459 | 1.00 | GPR35 (0.40) | GPR35PTGS2CYP3A4ESR1ADRA2A | |
| SCHEMBL15791266 | 1.00 | GPR35 (0.40) | GPR35PTGS2CYP3A4ESR1ADRA2A | |
| SCHEMBL2401191 | 1.00 | GPR35 (0.40) | GPR35PTGS2CYP3A4ESR1ADRA2A | |
| SCHEMBL3872581 | 1.00 | GPR35 (0.40) | GPR35PTGS2CYP3A4ESR1ADRA2A | |
| SCHEMBL3871715 | 0.92 | ALDH1A1 (0.35) | GPR35SLC6A4SLC6A3ALDH1A1LMNA | |
| SCHEMBL2600221 | 0.83 | — | — | |
| SCHEMBL9769129 | 0.80 | PTGS2 (0.38) | GPR35PTGS2CYP3A4ALDH1A1 | |
| SCHEMBL28814537 | 0.80 | LTB4R (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL19304386 | 0.80 | PTGS2 (0.38) | GPR35PTGS2CYP3A4ALDH1A1 | |
| SCHEMBL18433458 | 0.80 | PTGS2 (0.38) | GPR35PTGS2CYP3A4ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104370937-B | The synthetic method and purposes of a kind of containing oxygen group elements and five condensed ring conjugated molecules and its derivative | 浙江华显光电科技有限公司 | 2018-04-10 | — | — | CN | disclosed |
| CN-104370937-A | Oxygen family element-containing penta-condensed ring conjugated molecule and its derivative synthetic method and purpose thereof | ZHEJIANG OUPU PHOTOELECTRIC TECHNOLOGY CO LTD | 2015-02-25 | — | — | CN | disclosed |
| EP-2138545-B1 | USE OF PORPHYRAZINE DERIVATIVE AS SEMICONDUCTOR | UNIV HIROSHIMA (JP) | 2014-01-08 | — | — | EP | disclosed |
| EP-2664655-A1 | Novel synthesis for 5-alkyl-2,3-dihalogenthiophenes | Hiroshima University (JP) | 2013-11-20 | — | — | EP | disclosed |
| EP-2138545-A1 | NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, METHOD FOR PRODUCTION OF NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, AND USE OF PORPHYRAZINE DERIVATIVE | Hiroshima University (JP) | 2009-12-30 | — | — | EP | disclosed |
| US-5300499-A | 5-substituted 3-thiophene sulfonamides as antiglaucoma agents | ALLERGAN, INC. (US) | 1994-04-05 | — | — | US | disclosed |
| WO-1994005651-A1 | 5-SUBSTITUTED 3-THIOPHENE SULFONAMIDES AS ANTIGLAUCOMA AGENTS | ALLERGAN, INC. (US) | 1994-03-17 | — | — | WO | disclosed |