Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.48 |
| ▸ | PDE4A | P27815 | 2/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29862644 | 0.89 | IDO1 (0.56) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL23360277 | 0.89 | IDO1 (0.56) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL17729205 | 0.88 | IDO1 (0.69) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL5499611 | 0.88 | IDO1 (0.55) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL5507155 | 0.86 | IDO1 (0.54) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL23360106 | 0.86 | IDO1 (0.56) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL29862793 | 0.86 | IDO1 (0.56) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL23707520 | 0.85 | IDO1 (0.52) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL23360413 | 0.82 | PDE4D (0.52) | IDO1PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL29862539 | 0.82 | PDE4D (0.52) | IDO1PDE4BPDE4DPDE4APDE4C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108779115-B | Five-membered heteroaromatic ring bridged ring derivative, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2021-02-26 | — | — | CN | disclosed |
| EP-3527570-A1 | FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2019-08-21 | — | — | EP | disclosed |
| WO-2018068759-A1 | FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2018-04-19 | — | — | WO | disclosed |