Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | PLA2G4B | P0C869 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25944276 | 1.00 | CES2 (0.44) | CES2TSHRCYP3A4MEN1THRB | |
| SCHEMBL10825304 | 1.00 | CES2 (0.44) | CES2TSHRCYP3A4MEN1THRB | |
| SCHEMBL20129293 | 1.00 | CES2 (0.44) | CES2TSHRCYP3A4MEN1THRB | |
| SCHEMBL18551080 | 0.98 | CES2 (0.43) | CES2TSHRCYP3A4MEN1THRB | |
| SCHEMBL17947432 | 0.96 | CES2 (0.49) | CES2TSHRCYP3A4MEN1THRB | |
| SCHEMBL18591856 | 0.96 | CES2 (0.44) | CES2TSHRCYP3A4MEN1THRB | |
| SCHEMBL5607231 | 0.96 | CES2 (0.47) | CES2TSHRCYP3A4ALDH1A1PSEN1 | |
| SCHEMBL17951936 | 0.95 | CES2 (0.47) | CES2TSHRCYP3A4MEN1THRB | |
| SCHEMBL17951942 | 0.95 | CES2 (0.47) | CES2TSHRCYP3A4MEN1THRB | |
| SCHEMBL17951967 | 0.95 | CES2 (0.52) | CES2TSHRCYP3A4MEN1THRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2504327-B1 | Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions | ARISGEN SA (CH) | 2015-07-29 | — | — | EP | disclosed |
| US-8624044-B2 | Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions | ARISGEN SA (CH) | 2014-01-07 | — | — | US | disclosed |
| EP-0517262-A1 | Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-12-09 | — | — | EP | disclosed |