Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11305128 | 0.95 | CYP1A2 (0.68) | CYP1A2ALOX15GAAMGAMSI | |
| SCHEMBL31084215 | 0.93 | CYP1A2 (0.65) | CYP1A2ALOX15GAAMGAMSI | |
| SCHEMBL31084214 | 0.93 | CYP1A2 (0.65) | CYP1A2ALOX15GAAMGAMSI | |
| Hydrochloric Acid SCHEMBL2962204 | 0.93 | CYP1A2 (0.65) | CYP1A2ALOX15GAAMGAMSI | |
| SCHEMBL7046932 | 0.93 | CYP1A2 (0.65) | CYP1A2ALOX15GAAMGAMSI | |
| SCHEMBL3043054 | 0.93 | CYP1A2 (0.65) | CYP1A2ALOX15GAAMGAMSI | |
| SCHEMBL50734 | 0.90 | CYP1A2 (0.73) | CYP1A2ALOX15GAAMGAMSI | |
| SCHEMBL1331978 | 0.90 | CYP1A2 (0.73) | CYP1A2ALOX15GAAMGAMSI | |
| SCHEMBL3487275 | 0.88 | CYP1A2 (0.58) | CYP1A2ALOX15GAAMGAMSI | |
| Succinic Acid Diethyl Ester SCHEMBL21518140 | 0.87 | CYP1A2 (0.70) | CYP1A2ALOX15GAAMGAMSI |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101400699-A | Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions | BRISTOL MYERS SQUIBB CO (US) | 2009-04-01 | — | — | CN | claimed |
| CN-1049770-A | Weeding glutaramic acid and its derivative | ROHM & HAAS (US) | 1991-03-13 | — | — | CN | claimed |
| CN-106632124-B | The synthetic method of 5,5 '--3,3 '-connection -1,2,4- oxadiazoles of ethyl diacetate base | 西安近代化学研究所 | 2019-02-05 | — | — | CN | disclosed |
| CN-106632124-A | Synthesis method of 5,5'-di(acetic ether)-3,3'-bi-1,2,4-oxadiazole | 西安近代化学研究所 | 2017-05-10 | — | — | CN | disclosed |
| CN-104837831-A | Novel pyridine derivatives | HOFFMANN LA ROCHE | 2015-08-12 | — | — | CN | disclosed |
| CN-104024232-A | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |
| US-4436828-A | Reactive asymmetrical dicarboxylic acid esters and reagents for the investigation of cardiac glycosides | BOEHRINGER MANNHEIM GMBH (DE) | 1984-03-13 | — | — | US | disclosed |
| US-4282151-A | Reactive asymmetrical dicarboxylic acid esters and reagents for the investigation of cardiac glycosides | BOEHRINGER MANNHEIM GMBH (DE) | 1981-08-04 | — | — | US | disclosed |
| US-4133949-A | Dicarboxylic acid esters of cardiac glycosides | BOEHRINGER MANNHEIM GMBH (DE) | 1979-01-09 | — | — | US | disclosed |