Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.47 |
| ▸ | ALDH5A1 | P51649 | 3/20 | 0.43 |
| ▸ | ABAT | P80404 | 3/20 | 0.43 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19923199 | 0.84 | KDM4E (0.57) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| SCHEMBL29951527 | 0.80 | KDM4E (0.57) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| SCHEMBL3432659 | 0.80 | KDM4E (0.57) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| SCHEMBL23224343 | 0.78 | ALDH1A1 (0.44) | KDM4EPTGS2RAB9AALDH1A1TDP1 | |
| SCHEMBL29820525 | 0.74 | TYR (0.45) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| SCHEMBL24666654 | 0.74 | TYR (0.45) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| SCHEMBL3427355 | 0.74 | TSHR (0.52) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| Protocatechualdehyde SCHEMBL36350 | 0.73 | KDM4E (1.00) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| Protocatechualdehyde SCHEMBL9512877 | 0.73 | KDM4E (1.00) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| Protocatechualdehyde SCHEMBL29349539 | 0.73 | KDM4E (1.00) | KDM4EPTGS2RAB9AALDH1A1AOX1 |
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-105523922-A | Preparation method for roflumilast intermediates | CHEN HONG | 2016-04-27 | — | — | CN | disclosed |
| CN-105254559-A | Preparation method for high-purity roflumilast | SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD | 2016-01-20 | — | — | CN | disclosed |