Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CD38 | P28907 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3950070 | 0.83 | MAPK1 (0.45) | PIK3CAKDM4EMAPK1HTTMAPT | |
| SCHEMBL3947432 | 0.81 | KDM4E (0.34) | PIK3CACCR1CCR5CCR8KDM4E | |
| SCHEMBL4417857 | 0.76 | NPC1 (0.49) | KDM4EHTTNPC1MAPTRAB9A | |
| SCHEMBL12395981 | 0.70 | CCR1 (0.34) | CCR1CCR5CCR8 | |
| SCHEMBL11659508 | 0.69 | RAPGEF4 (0.46) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3945911 | 0.67 | HTT (0.52) | KDM4EMAPK1HTTNPC1MAPT | |
| SCHEMBL12287341 | 0.66 | — | — | |
| SCHEMBL13010660 | 0.65 | L3MBTL1 (0.40) | KDM4ENPC1MAPTRAB9A | |
| SCHEMBL147652 | 0.64 | HPGD (0.58) | KDM4EMAPK1HTTNPC1MAPT | |
| SCHEMBL6386562 | 0.64 | PIK3CA (0.39) | PIK3CAKDM4EMAPK1HTTPIK3CD |
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-2049535-A1 | ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016184-A1 | ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |