Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | TGM1 | P22735 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20910169 | 0.81 | ALDH1A1 (0.33) | NOS1ALDH1A1TGM2TGM1LMNA | |
| SCHEMBL22298683 | 0.81 | MAP4K4 (0.38) | LRRK2MAP4K4MAP4K1PIK3CAFGFR1 | |
| SCHEMBL20519689 | 0.81 | MAP4K4 (0.38) | LRRK2MAP4K4MAP4K1PIK3CAALDH1A1 | |
| SCHEMBL25460776 | 0.81 | ELANE (0.41) | LRRK2MAP4K4MAP4K1PIK3CAALDH1A1 | |
| SCHEMBL15650642 | 0.81 | MAP4K4 (0.41) | LRRK2MAP4K4MAP4K1PIK3CAFGFR1 | |
| SCHEMBL12837968 | 0.79 | LMNA (0.44) | NOS1ALDH1A1TGM2TGM1LMNA | |
| SCHEMBL15601835 | 0.79 | EGLN1 (0.37) | LRRK2ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL13390165 | 0.79 | HCRTR1 (0.38) | NOS1ALDH1A1TGM2TGM1LMNA | |
| SCHEMBL19939682 | 0.78 | MAP4K4 (0.37) | LRRK2MAP4K4MAP4K1PIK3CAFGFR1 | |
| SCHEMBL19943507 | 0.78 | MAP4K4 (0.37) | LRRK2MAP4K4MAP4K1PIK3CAALDH1A1 |
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-3347361-B1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2020-08-05 | — | — | EP | disclosed |
| WO-2017042182-A1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-16 | — | — | WO | disclosed |