Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27664694 | 0.81 | CHEK2 (0.53) | CHEK2TYK2MEN1ALDH1A1MAPT | |
| SCHEMBL995828 | 0.76 | CSNK1A1 (0.50) | CHEK2HPGDTYK2PDPK1MEN1 | |
| SCHEMBL30517722 | 0.76 | CSNK1A1 (0.50) | CHEK2HPGDTYK2PDPK1MEN1 | |
| SCHEMBL30576812 | 0.75 | KDM4E (0.47) | HPGDALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL30810223 | 0.75 | CSNK1A1 (0.49) | CHEK2HPGDTYK2PDPK1MEN1 | |
| SCHEMBL5698784 | 0.75 | KDM4E (0.40) | CHEK2HPGDTYK2PDPK1MEN1 | |
| SCHEMBL30576798 | 0.75 | KDR (0.41) | MAPK8 | |
| SCHEMBL28843050 | 0.74 | PLA2G2A (0.44) | LOXL2CHEK2PDPK1PTGDR2FFAR1 | |
| SCHEMBL918767 | 0.74 | CSNK1A1 (0.48) | CHEK2TYK2PDPK1MEN1ALDH1A1 | |
| SCHEMBL27986525 | 0.74 | CHEK2 (0.45) | LOXL2CHEK2ROCK1CYP2A6THRB |
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-102812006-B | Novel antimalaria reagent | MMV MEDICINES FOR MALARIA VENTURE (CH) | 2016-01-20 | — | — | CN | disclosed |