Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.35 |
| ▸ | IDH1 | O75874 | 4/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL585936 | 0.88 | ABL1 (0.36) | ALDH1A1GAAABL1BCRMAP4K1 | |
| SCHEMBL586384 | 0.80 | ABL1 (0.34) | ALDH1A1GAAABL1BCRIDH1 | |
| SCHEMBL13147740 | 0.79 | IDH1 (0.41) | ALDH1A1IDH1KDM4ETGFBR1 | |
| SCHEMBL13147681 | 0.79 | IDH1 (0.36) | ALDH1A1IDH1GPBAR1NPC1RAB9A | |
| SCHEMBL13147680 | 0.77 | PTGS2 (0.40) | IDH1LMNAMAPT | |
| SCHEMBL13147664 | 0.77 | ALDH1A1 (0.44) | ALDH1A1IDH1KDM4ELMNANPC1 | |
| SCHEMBL13147748 | 0.77 | IDH1 (0.36) | ALDH1A1IDH1NPC1PRMT6MAPT | |
| SCHEMBL13147745 | 0.76 | IDH1 (0.38) | ALDH1A1IDH1KDM4ELMNAHPGD | |
| SCHEMBL586224 | 0.76 | ABL1 (0.37) | GAAABL1BCRL3MBTL1MCHR1 | |
| SCHEMBL13147682 | 0.76 | LMNA (0.45) | ALDH1A1GAAIDH1KDM4ELMNA |
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-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |