Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GFPT1 | Q06210 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | IDE | P14735 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CBX7 | O95931 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5765120 | 0.96 | MEN1 (0.45) | GFPT1SMN1; SMN2ENPP2KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5763821 | 0.94 | GAA (0.51) | GFPT1SMN1; SMN2IDEENPP2KMT2A | |
| Trifluoroacetic Acid SCHEMBL6107669 | 0.93 | FKBP1A (0.45) | GFPT1SMN1; SMN2IDEKMT2AMAPK1 | |
| Trifluoroacetic Acid SCHEMBL5767572 | 0.90 | ALDH1A1 (0.50) | GFPT1SMN1; SMN2KMT2AMEN1MAPK1 | |
| SCHEMBL5744564 | 0.89 | GAA (0.55) | GFPT1SMN1; SMN2ENPP2KMT2AMEN1 | |
| SCHEMBL5809784 | 0.89 | GFPT1 (0.45) | GFPT1SMN1; SMN2IDEENPP2KMT2A | |
| SCHEMBL5744131 | 0.88 | MAPK1 (0.43) | GFPT1SMN1; SMN2IDEENPP2KMT2A | |
| SCHEMBL5745153 | 0.88 | FKBP1A (0.48) | SMN1; SMN2KMT2AMAPK1ALDH1A1GAA | |
| Trifluoroacetic Acid SCHEMBL5767994 | 0.88 | GFPT1 (0.51) | GFPT1MAPK1L3MBTL1KDM4EMAPK7 | |
| SCHEMBL5766705 | 0.87 | MAPK1 (0.51) | SMN1; SMN2ENPP2KMT2AMEN1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1631551-A2 | ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-08 | — | — | EP | disclosed |
| WO-2004101528-A2 | ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | disclosed |