Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 11/20 | 0.53 |
| ▸ | PDE4A | P27815 | 4/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28034335 | 0.93 | TSHR (0.64) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL29670247 | 0.91 | TSHR (0.66) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL15596058 | 0.91 | TSHR (0.66) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL1031663 | 0.91 | CA12 (0.63) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL30575456 | 0.91 | CA12 (0.63) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL17205120 | 0.89 | PDE4B (0.54) | PDE4BPDE4APDE4CPDE4DNR1H4 | |
| SCHEMBL4270612 | 0.89 | PDE4B (0.48) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL2805176 | 0.89 | PDE4A (0.55) | PDE4BPDE4APDE4CPDE4DPOLB | |
| SCHEMBL30362096 | 0.89 | PDE4A (0.55) | PDE4BPDE4APDE4CPDE4DPOLB | |
| SCHEMBL20053762 | 0.87 | NR1H4 (0.52) | PDE4BPDE4APDE4CPDE4DNR1H4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111777550-A | Production and preparation method of roflumilast crystalline powder raw material medicine | 山东希尔康泰药业有限公司 | 2020-10-16 | — | — | CN | disclosed |
| CN-105085429-A | Heteroaromatic derivative and application thereof to medicament | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |