Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 2/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21274673 | 0.85 | AKT2 (0.46) | TAAR1AKT2LOXL2CYP2A6 | |
| SCHEMBL13078874 | 0.83 | METAP2 (0.32) | AKT2 | |
| Quinoline SCHEMBL28285061 | 0.82 | ALDH1A1 (0.44) | CHEK1CHEK2ABL1TAAR1ADRB2 | |
| SCHEMBL21274655 | 0.81 | SLC6A4 (0.46) | TAAR1CYP2A6 | |
| SCHEMBL5613119 | 0.81 | TP53 (0.49) | — | |
| SCHEMBL28876711 | 0.81 | AKT2 (0.31) | AKT2 | |
| SCHEMBL28164912 | 0.81 | CHEK1 (0.43) | CHEK1CHEK2ABL1LTA4H | |
| SCHEMBL28732240 | 0.79 | TP53 (0.47) | — | |
| SCHEMBL5612851 | 0.78 | NISCH (0.42) | AKT2 | |
| SCHEMBL1823584 | 0.78 | METAP2 (0.44) | CHEK1TAAR1ASIC3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105272964-B | The 6 substitution Ethyl formate class compounds of 1 ((base of 1 substituted-phenyl, 1,2,3 triazole 4) methyl) 4 carbonyl quinoline 3 and its preparation and application | 河南省医药科学研究院 | 2017-11-24 | — | — | CN | disclosed |
| CN-101781262-A | Method for preparing 4-aryl-1H-1,2,3-triazole | UNIV TONGJI | 2010-07-21 | — | — | CN | disclosed |
| EP-1831183-A1 | 1,6-SUBSTITUTED (3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS | GLAXO GROUP LIMITED (GB) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006067462-A1 | 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS | GLAXO GROUP LIMITED (GB) | 2006-06-29 | — | — | WO | disclosed |