Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29611939 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL147859 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL30092846 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| Ethane SCHEMBL11573254 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL8339944 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| Ether SCHEMBL11883533 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| Isoquinoline SCHEMBL5507755 | 0.77 | MAPT (0.46) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| Catechol SCHEMBL1369477 | 0.75 | ALDH1A1 (0.53) | CYP1A2NPC1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL152294 | 0.74 | — | — | |
| SCHEMBL31128745 | 0.74 | — | — |
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-0661280-A1 | Novel amino acid ester and reagent composition for detecting leucocytes or elastase in body liquid | KYOTO DAIICHI KAGAKU CO., LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |