Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTSR1 | P30989 | 2/20 | 0.53 |
| ▸ | PRKCI | P41743 | 1/20 | 0.53 |
| ▸ | PLAU | P00749 | 3/20 | 0.42 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13139586 | 0.87 | NTSR1 (0.57) | NTSR1PRKCIPLAUBRPF1HTR2C | |
| SCHEMBL8248060 | 0.81 | NTSR1 (0.55) | NTSR1PRKCIPLAUBRPF1CHEK1 | |
| SCHEMBL27872943 | 0.81 | KMT2A (0.41) | NTSR1PLAUHTR2CHTR2APLG | |
| SCHEMBL218056 | 0.80 | PRKCI (0.58) | NTSR1PRKCIPLAUBRPF1HTR2C | |
| SCHEMBL31265088 | 0.80 | PRKCI (0.58) | NTSR1PRKCIPLAUBRPF1HTR2C | |
| SCHEMBL14876504 | 0.80 | NTSR1 (0.57) | NTSR1PRKCIBRPF1HTR2CCHEK1 | |
| SCHEMBL28143318 | 0.79 | HTR2A (0.58) | NTSR1HTR2CHTR2AKMT2A | |
| SCHEMBL30764984 | 0.79 | PRKCI (0.53) | NTSR1PRKCIPLAUBRPF1HTR2C | |
| SCHEMBL27591506 | 0.79 | HTR2A (0.58) | PLAUHTR2CHTR2APLG | |
| Hydrochloric Acid SCHEMBL7361184 | 0.79 | PRKCI (0.56) | NTSR1PRKCIPLAUBRPF1HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-104311541-B | Containing substituted pyrazole compound of ketone and combinations thereof and purposes | 广东东阳光药业有限公司 | 2017-12-05 | — | — | CN | disclosed |