Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.33 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL540882 | 1.00 | ALDH1A1 (0.47) | ALDH1A1IDO1TDO2HSD11B1MAPK1 | |
| SCHEMBL2756356 | 0.81 | ALDH1A1 (0.48) | ALDH1A1IDO1TDO2HSD11B1MAPK1 | |
| SCHEMBL6692582 | 0.81 | ALDH1A1 (0.48) | ALDH1A1IDO1TDO2HSD11B1MAPK1 | |
| SCHEMBL4960285 | 0.78 | ACP3 (0.43) | ALDH1A1MAPK1PARP1MGAMGAA | |
| SCHEMBL167914 | 0.78 | HDAC4 (0.44) | IDO1TDO2MAPK1CYP3A4CYP2D6 | |
| SCHEMBL1701121 | 0.78 | ADRB1 (0.43) | ALDH1A1GAACYP3A4SLC6A3 | |
| SCHEMBL27752015 | 0.78 | — | — | |
| SCHEMBL169020 | 0.78 | ACP3 (0.43) | ALDH1A1PARP1MGAMGAASI | |
| SCHEMBL4062829 | 0.78 | SLC6A3 (0.33) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27992416 | 0.78 | ALDH1A1 (0.50) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3856737-A1 | HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020219808-A1 | DICARBAMATE INHIBITORS OF NS5A FOR TREATMENT OF HEPATITIS C VIRUS INFECTIONS AND RELATED DISEASES | BETA PHARMA, INC. (US) | 2020-10-29 | — | — | WO | disclosed |
| WO-2020064792-A1 | HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-04-02 | — | — | WO | disclosed |
| WO-2019201865-A1 | SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES | MASARYKOVA UNIVERZITA (CZ) | 2019-10-24 | — | — | WO | disclosed |