Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.53 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | PPARD | Q03181 | 1/20 | 0.52 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.52 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9446898 | 1.00 | GPR84 (0.53) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL10564207 | 1.00 | GPR84 (0.53) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL28055051 | 0.98 | GPR84 (0.50) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL11367204 | 0.92 | CA2 (0.48) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL866880 | 0.86 | GPR84 (0.55) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL10581578 | 0.86 | GPR84 (0.55) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL9066915 | 0.85 | GPR84 (0.64) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL337767 | 0.85 | GPR84 (0.64) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL337012 | 0.85 | GPR84 (0.64) | GPR84FFAR1ACE2MAPTLCK | |
| SCHEMBL5547897 | 0.85 | GPR84 (0.64) | GPR84FFAR1ACE2MAPTLCK |
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-103910738-B | A kind of Bisbenzylisoquinolincompounds quaternary ammonium salt and preparation method thereof and the application in preparing antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | claimed |
| CN-115677718-A | Methylmethylamine derivative preparation, pharmaceutical composition and application thereof | 武汉思瓴生物科技有限公司 | 2023-02-03 | — | — | CN | disclosed |