Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 4/20 | 0.41 |
| ▸ | RARA | P10276 | 3/20 | 0.41 |
| ▸ | RARG | P13631 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL27665336 | 0.98 | CES2 (0.42) | CES2CES1CYP1A2RARBRARA | |
| SCHEMBL14553949 | 0.83 | CES2 (0.43) | CES2CES1CYP1A2ALBKEAP1 | |
| SCHEMBL17249495 | 0.81 | ALDH1A1 (0.52) | CES2CES1ALDH1A1DGAT1SMN1; SMN2 | |
| SCHEMBL13652578 | 0.79 | ALDH1A1 (0.48) | CYP1A2ALDH1A1TSHRCA12CA1 | |
| SCHEMBL25667839 | 0.78 | CES2 (0.39) | CES2CES1DGAT1 | |
| SCHEMBL16534058 | 0.77 | RARB (0.60) | CES2CES1CYP1A2RARBRARA | |
| SCHEMBL30641680 | 0.77 | RARB (0.60) | CES2CES1CYP1A2RARBRARA | |
| SCHEMBL366061 | 0.77 | CES2 (0.71) | CES2CES1CYP1A2ALBKEAP1 | |
| SCHEMBL8109850 | 0.76 | CA12 (0.46) | CES2CES1ALDH1A1TSHRCA12 | |
| SCHEMBL14535151 | 0.76 | CES2 (0.38) | CES2CES1ALDH1A1CA1CA2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3453707-B1 | BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI DE NOVO PHARMATECH CO LTD (CN) | 2022-02-16 | — | — | EP | disclosed |
| EP-2982674-B1 | PYRIDINYLPYRAZOLOQUINOLINE COMPOUND | EISAI R&D MAN CO LTD (JP) | 2017-10-25 | — | — | EP | disclosed |
| CN-103200820-B | As the substd quinolines compound of GSNO reductase inhibitor | Nivalis Therapeutics (US) | 2016-04-06 | — | — | CN | disclosed |
| EP-2982674-A1 | PYRIDINYLPYRAZOLOQUINOLINE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2016-02-10 | — | — | EP | disclosed |
| EP-1841504-B1 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-19 | — | — | EP | disclosed |
| EP-1720836-B1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | LILLY CO ELI (US) | 2014-04-16 | — | — | EP | disclosed |
| WO-2012029942-A1 | CYCLIC AMIDE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2012-03-08 | — | — | WO | disclosed |
| WO-2011148922-A1 | NOVEL QUINAZOLINE COMPOUND | 田辺三菱製薬株式会社 (JP) | 2011-12-01 | — | — | WO | disclosed |
| WO-2009100171-A1 | FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009018656-A1 | VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-12 | — | — | WO | disclosed |