Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATXN2 | Q99700 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16963021 | 1.00 | ATXN2 (0.41) | ATXN2KDM4EENPP2DGAT2HCRTR1 | |
| SCHEMBL21323349 | 0.88 | ENPP2 (0.43) | ATXN2KDM4EENPP2DGAT2MCHR1 | |
| SCHEMBL16962369 | 0.88 | ENPP2 (0.43) | ATXN2KDM4EENPP2DGAT2MCHR1 | |
| SCHEMBL16963022 | 0.85 | KDM4E (0.38) | ATXN2KDM4EENPP2SCN9AGAA | |
| SCHEMBL21323395 | 0.84 | ENPP2 (0.41) | ATXN2ENPP2DGAT2 | |
| SCHEMBL16963057 | 0.84 | ENPP2 (0.41) | ATXN2ENPP2DGAT2 | |
| SCHEMBL16963608 | 0.84 | HTR2B (0.38) | ATXN2KDM4EALDH1A1HPGD | |
| SCHEMBL21323101 | 0.83 | ATXN2 (0.41) | ATXN2ENPP2DGAT2SCN9ADAO | |
| SCHEMBL16963655 | 0.83 | ATXN2 (0.41) | ATXN2ENPP2DGAT2SCN9ADAO | |
| SCHEMBL21322907 | 0.83 | ENPP2 (0.39) | ATXN2ENPP2DGAT2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900669-B1 | HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |