Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.66 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL37463 | 0.83 | IDO1 (0.70) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL8062311 | 0.83 | IDO1 (0.70) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL293414 | 0.79 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL293415 | 0.79 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL7829129 | 0.79 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL23091915 | 0.79 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL4016592 | 0.79 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL12417032 | 0.79 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL7769668 | 0.79 | IDO1 (0.66) | IDO1AKR1C3LOXL2TSHRCA12 | |
| SCHEMBL439093 | 0.79 | IDO1 (1.00) | IDO1AKR1C3LOXL2TSHRCA12 |
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-113365985-B | Compound with benzo-seven-membered ring structure, preparation method and application thereof | 博诺康源(北京)药业科技有限公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-113365985-A | Compound with benzo seven-membered ring structure, preparation method and application thereof | 博诺康源(北京)药业科技有限公司 | 2021-09-07 | — | — | CN | disclosed |
| CN-112616314-A | Process for the preparation of (3R,5R) -7- [2- (4-fluorophenyl) -5-isopropyl-3-phenyl-4- [ (4-hydroxymethylphenylamino) carbonyl ] -pyrrol-1-yl ] -3, 5-dihydroxyheptanoic acid hemicalcium salt, intermediates therefor and process for the preparation of intermediates | 大元制药株式会社 | 2021-04-06 | — | — | CN | disclosed |
| CN-112292414-A | Cation-curable composition and method for producing cured product | 迪睿合株式会社 | 2021-01-29 | — | — | CN | disclosed |
| CN-111518045-A | Compound with benzo seven-membered ring structure, preparation method and application thereof | 博诺康源(北京)药业科技有限公司 | 2020-08-11 | — | — | CN | disclosed |
| WO-2020156357-A1 | COMPOUND HAVING BENZO SEVEN-MEMBERED RING STRUCTURE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 博诺康源(北京)药业科技有限公司 | 2020-08-06 | — | — | WO | disclosed |
| WO-2020040614-A1 | PREPARATION METHOD FOR (3R,5R)-7-[2-(4-FLUROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXYMETHYLPHENYLAMINO)CARBONYL]-PYRRROL-1-YL]-3,5-DIHYDROXY HEPTANOIC ACID HEMICALCIUM SALT, INTERMEDIATE USED THEREFOR, AND PREPARATION METHOD FOR INTERMEDIATE | 대원제약주식회사 | 2020-02-27 | — | — | WO | disclosed |