Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | GPR183 | P32249 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | RET | P07949 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.30 |
| ▸ | GLS | O94925 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14529439 | 0.82 | ADORA2A (0.35) | MAP4K4ALDH1A1HTTSMN1; SMN2PTGER4 | |
| SCHEMBL13213234 | 0.78 | ADORA2A (0.38) | MAP4K4ADORA2ATSPOADORA1GPR183 | |
| SCHEMBL14529499 | 0.74 | ALOX5 (0.33) | LRRK2 | |
| SCHEMBL31465948 | 0.70 | BPTF (0.45) | ALDH1A1HTTSMN1; SMN2SIGMAR1 | |
| SCHEMBL14529451 | 0.69 | MGLL (0.49) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL5271865 | 0.67 | MGLL (0.44) | — | |
| SCHEMBL14529784 | 0.67 | PIK3CA (0.35) | MAP4K4ADORA2ATSPOADORA1GPR183 | |
| SCHEMBL14529230 | 0.67 | CDC7 (0.37) | MAP4K4PTGER4ADORA2ATSPOADORA1 | |
| SCHEMBL14529226 | 0.66 | IDH1 (0.37) | MAP4K4LRRK2 | |
| SCHEMBL14529206 | 0.65 | PIK3CA (0.35) | MAP4K4ADORA2ATSPOADORA1GPR183 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1785418-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-05-16 | — | — | EP | disclosed |