Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | PI4KA | P42356 | 2/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL2667030 | 0.80 | SMN1; SMN2 (0.41) | PIK3CAPI4KAPI4KBRAB9ANPC1 | |
| SCHEMBL5316068 | 0.75 | BRAF (0.43) | DHFRRAB9ANPC1MAPTTP53 | |
| SCHEMBL2455971 | 0.74 | L3MBTL1 (0.42) | RAB9ANPC1SMN1; SMN2MAPTTP53 | |
| SCHEMBL10233567 | 0.73 | HRH3 (0.50) | PIK3CAPI4KAPI4KBRAB9ANPC1 | |
| SCHEMBL5331734 | 0.70 | KDM4E (0.41) | SMN1; SMN2TSHR | |
| SCHEMBL13557858 | 0.68 | NCF1 (0.66) | DHFREGFRRAB9AMAPTHPGD | |
| SCHEMBL5533108 | 0.68 | RAB9A (0.48) | PIK3CAPI4KAPI4KBRAB9ANPC1 | |
| SCHEMBL31109671 | 0.68 | RAB9A (0.48) | PIK3CAPI4KAPI4KBRAB9ANPC1 | |
| SCHEMBL25453080 | 0.67 | DHFR (0.46) | DHFREGFRMAPTTP53 | |
| SCHEMBL2666929 | 0.67 | RAB9A (0.42) | PIK3CAPI4KAPI4KBRAB9ANPC1 |
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-2007058482-A1 | NOVEL INHIBITORS OF PROTEIN KINASE | LG LIFE SCIENCES, LTD. (KR) | 2007-05-24 | — | — | WO | disclosed |