Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PLEC | Q15149 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28769190 | 0.80 | ALDH1A1 (0.61) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 | |
| SCHEMBL16618643 | 0.80 | ALDH1A1 (0.61) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 | |
| SCHEMBL4084843 | 0.79 | HSD17B3 (0.56) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 | |
| SCHEMBL4084847 | 0.79 | HSD17B3 (0.56) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 | |
| Ethylene Glycol SCHEMBL28561903 | 0.79 | ALDH1A1 (0.80) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 | |
| SCHEMBL12479845 | 0.78 | ALDH1A1 (0.59) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 | |
| SCHEMBL18243744 | 0.77 | ALDH1A1 (0.57) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 | |
| SCHEMBL933470 | 0.76 | HSD17B3 (0.53) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 | |
| SCHEMBL28099212 | 0.76 | LCK (0.54) | ALDH1A1MAPT | |
| Ethylene Glycol SCHEMBL5831465 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HSD17B3MAPTSLC6A19BACE1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672973-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS Innopharm (Shanghai) Ltd. (CN) | 2020-07-01 | — | — | EP | claimed |
| WO-2019037640-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2019-02-28 | — | — | WO | claimed |
| EP-3672973-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS Innopharm (Shanghai) Ltd. (CN) | 2020-07-01 | — | — | EP | disclosed |
| WO-2019037640-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2019-02-28 | — | — | WO | disclosed |
| CN-101522657-B | STAT3/5 activation inhibitor | OTSUKA PHARMACEUTICAL CO.,LTD. (JP) | 2014-10-15 | — | — | CN | disclosed |
| CN-1993339-B | Aromatic compound | OTSUKA PHARMA CO LTD | 2013-05-22 | — | — | CN | disclosed |
| CN-101522657-A | STAT3/5 activation inhibitor | OTSUKA PHARMA CO LTD (JP) | 2009-09-02 | — | — | CN | disclosed |
| CN-1993339-A | Aromatic compound | OTSUKA PHARMA CO LTD (JP) | 2007-07-04 | — | — | CN | disclosed |