Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CPN1 | P15169 | 3/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 4/20 | 0.32 |
| ▸ | MMP13 | P45452 | 4/20 | 0.32 |
| ▸ | MMP3 | P08254 | 3/20 | 0.32 |
| ▸ | MMP7 | P09237 | 3/20 | 0.32 |
| ▸ | MMP9 | P14780 | 3/20 | 0.32 |
| ▸ | MMP8 | P22894 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 2/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25291471 | 0.92 | ALDH1A1 (0.35) | ALDH1A1CPN1CPB2TP53TDP1 | |
| SCHEMBL2369963 | 0.92 | ALDH1A1 (0.35) | ALDH1A1CPN1CPB2TP53TDP1 | |
| SCHEMBL25291469 | 0.92 | ALDH1A1 (0.35) | ALDH1A1CPN1CPB2TP53TDP1 | |
| SCHEMBL25291470 | 0.92 | ALDH1A1 (0.35) | ALDH1A1CPN1CPB2TP53TDP1 | |
| SCHEMBL2369968 | 0.92 | ALDH1A1 (0.35) | ALDH1A1CPN1CPB2TP53TDP1 | |
| SCHEMBL384998 | 0.83 | GPR119 (0.44) | MMP1MMP13MMP3MMP7MMP9 | |
| SCHEMBL866117 | 0.83 | GPR119 (0.44) | MMP1MMP13MMP3MMP7MMP9 | |
| SCHEMBL25278800 | 0.82 | CYP2C19 (0.37) | ALDH1A1GPR119 | |
| SCHEMBL470524 | 0.80 | GPR119 (0.48) | ALDH1A1MMP1MMP13MMP3MMP7 | |
| SCHEMBL24092369 | 0.80 | GPR119 (0.48) | ALDH1A1MMP1MMP13MMP3MMP7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3331869-A1 | MUSCARINIC AGONISTS | Heptares Therapeutics Limited (GB) | 2018-06-13 | — | — | EP | disclosed |
| WO-2017021730-A1 | MUSCARINIC AGONISTS | HEPTARES THERAPEUTICS LIMITED (GB) | 2017-02-09 | — | — | WO | disclosed |
| CN-102348703-A | Compounds for the treatment of metabolic disorders | PROSIDION LTD | 2012-02-08 | — | — | CN | disclosed |
| EP-2205083-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |