Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18461575 | 0.89 | NCOA3 (0.51) | ATRLRRK2PDE10ASLC22A12CYP11B2 | |
| SCHEMBL19955350 | 0.88 | PDE3B (0.50) | ESR2PDE10ASLC22A12CYP11B2CYP11B1 | |
| SCHEMBL19955349 | 0.87 | CYP11B2 (0.58) | PDE10ACYP11B2CYP11B1CYP1A2CYP2C9 | |
| SCHEMBL29487253 | 0.87 | CYP11B2 (0.58) | PDE10ACYP11B2CYP11B1CYP1A2CYP2C9 | |
| SCHEMBL18462122 | 0.86 | PDE10A (0.49) | ATRESR2PDE10ASLC22A12CYP11B2 | |
| SCHEMBL17116623 | 0.85 | CYP11B2 (0.44) | PDE10ASLC22A12CYP11B2CYP11B1CYP2C19 | |
| SCHEMBL1146097 | 0.85 | CYP1A2 (0.57) | LRRK2ESR2PDE10ACYP11B2CYP11B1 | |
| SCHEMBL17117022 | 0.84 | ABL1 (0.46) | ATRSLC22A12CYP11B2CYP11B1NCOA3 | |
| SCHEMBL18422231 | 0.83 | CYP11B2 (0.40) | ATRESR2PDE10ASLC22A12CYP11B2 | |
| SCHEMBL17116591 | 0.83 | HTT (0.43) | ATRLRRK2ESR2PDE10ASLC22A12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2980085-B1 | PYRAZOLE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-03-14 | — | — | EP | disclosed |
| CN-103755631-B | The direct aromatize technique of pyridine derivate | CHANGZHOU ENGINEERING VOCATIONAL TECHNICAL COLLEGE (CN) | 2016-03-02 | — | — | CN | disclosed |
| CN-103755631-A | Direct aromatization process of pyridine derivative | CHANGZHOU INST ENG TECH | 2014-04-30 | — | — | CN | disclosed |
| US-6603007-B1 | Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence | SANKIO CHEMICAL CO., LTD. (JP) | 2003-08-05 | — | — | US | disclosed |
| EP-1231207-A1 | NOVEL BIPYRIDYL DERIVATIVES | Sankio Chemical Co., Ltd. (JP) | 2002-08-14 | — | — | EP | disclosed |