Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987543 | 0.83 | ABCB1 (0.44) | SMN1; SMN2LMNAMAPK1KDM4EMAPT | |
| SCHEMBL7991051 | 0.82 | KDM4E (0.50) | CA1CA2CA7CA9CA14 | |
| SCHEMBL7994780 | 0.82 | MAOB (0.53) | SMN1; SMN2KDM4ENPC1RAB9AS1PR1 | |
| SCHEMBL7995609 | 0.82 | S1PR1 (0.40) | SLC2A1CA1CA2CA7CA9 | |
| SCHEMBL7989163 | 0.82 | PTPN11 (0.48) | SLC2A1CA1CA2CA7CA9 | |
| SCHEMBL7987979 | 0.81 | PPARA (0.46) | CA1CA2CA7CA9CA14 | |
| SCHEMBL7988818 | 0.78 | MAOB (0.48) | SMN1; SMN2MAPK1NPC1MAPTRAB9A | |
| SCHEMBL7991609 | 0.76 | MAOB (0.49) | SMN1; SMN2NPC1RAB9AL3MBTL1MAOA | |
| SCHEMBL10483729 | 0.73 | GAA (0.57) | SMN1; SMN2LMNAMAPK1MAPTRAB9A | |
| SCHEMBL10483724 | 0.73 | GAA (0.57) | SMN1; SMN2LMNAMAPK1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001055117-A1 | NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2001-08-02 | — | — | WO | disclosed |