Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | WRN | Q14191 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21722780 | 1.00 | GABBR2 (0.41) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL14709152 | 0.83 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL27911200 | 0.83 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL5247316 | 0.79 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL5246292 | 0.79 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL5250926 | 0.79 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL29241009 | 0.78 | WRN (0.32) | WRN | |
| SCHEMBL29240988 | 0.78 | GSK3B (0.39) | GSK3BTOP2ATOP2BWRNDAO | |
| SCHEMBL29241008 | 0.78 | WRN (0.32) | WRN | |
| SCHEMBL20292586 | 0.78 | DAO (0.31) | DAO |
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-107840845-B | Novel use of amine compound | 上海璃道医药科技有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-114206859-B | 3-Aryloxy-3-five-membered heteroaryl-propylamine compound, and crystal forms and application thereof | 上海璃道医药科技有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-112654616-B | 3-aryloxy-3-aryl-propylamines and application thereof | 漳州片仔癀药业股份有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-112566909-B | 3-aryloxy-3-five-membered heteroaryl-propylamine compound and application thereof | 上海璃道医药科技有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-114206859-A | 3-aryloxy-3-pentabasic heteroaryl-propylamine compound and crystal form and application thereof | 上海璃道医药科技有限公司 | 2022-03-18 | — | — | CN | disclosed |
| CN-112654616-A | 3-aryloxy-3-aryl-propylamine compounds and application thereof | 漳州片仔癀药业股份有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-112566909-A | 3-aryloxy-3-five-membered heteroaryl-propylamine compound and application thereof | 上海璃道医药科技有限公司 | 2021-03-26 | — | — | CN | disclosed |
| CN-111943943-A | 3-aryloxy-3-pentabasic heteroaryl-propylamine compound and crystal form and application thereof | 上海璃道医药科技有限公司 | 2020-11-17 | — | — | CN | disclosed |
| WO-2020035040-A1 | 3-ARYLOXYL-3-FIVE-MEMBERED HETEROARYL PROPYLAMINE COMPOUND AND USE THEREOF | 上海璃道医药科技有限公司 | 2020-02-20 | — | — | WO | disclosed |