Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bromomethane SCHEMBL27605706 | 0.80 | CYP1A2 (0.54) | CYP1A2NCF1CYP3A4CYP2C9NFKB1 | |
| SCHEMBL29427043 | 0.80 | NCF1 (0.52) | CYP1A2NCF1CYP3A4CYP2C9MAPK1 | |
| SCHEMBL9430 | 0.80 | NCF1 (0.52) | CYP1A2NCF1CYP3A4CYP2C9MAPK1 | |
| SCHEMBL14127532 | 0.80 | NCF1 (0.52) | CYP1A2NCF1CYP3A4CYP2C9MAPK1 | |
| Acridine SCHEMBL25416084 | 0.79 | ALDH1A1 (0.54) | TLR8 | |
| Quinoline SCHEMBL4158642 | 0.78 | ALDH1A1 (0.59) | GPBAR1TLR8CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28914737 | 0.78 | NCF1 (0.50) | CYP1A2NCF1CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6347887 | 0.78 | NCF1 (0.50) | CYP1A2NCF1CYP3A4CYP2C9MAPK1 | |
| Bromide SCHEMBL27534621 | 0.78 | NCF1 (0.50) | CYP1A2NCF1CYP3A4CYP2C9MAPK1 | |
| Quinoline SCHEMBL11343924 | 0.77 | ALDH1A1 (0.57) | GPBAR1TLR8CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1244628-A1 | SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001046151-A1 | SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |