Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of E626. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.64 |
| ▸ | IMPDH2 | P12268 | 7/20 | 0.60 |
| ▸ | TGM2 | P21980 | 1/20 | 0.60 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.59 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.59 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.59 |
| ▸ | HINT1 | P49773 | 2/20 | 0.57 |
| ▸ | KRAS | P01116 | 5/20 | 0.57 |
| ▸ | GSK3A | P49840 | 1/20 | 0.57 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.57 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| E626 SCHEMBL15670776 | 0.92 | NT5E (0.60) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15670515 | 0.92 | NT5E (0.75) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15670525 | 0.92 | NT5E (0.61) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15670778 | 0.92 | NT5E (0.61) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15670593 | 0.91 | NT5E (0.58) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15670854 | 0.91 | NT5E (0.60) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15671169 | 0.91 | NT5E (0.62) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15671172 | 0.90 | NT5E (0.58) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15670857 | 0.90 | NT5E (0.59) | NT5EIMPDH2TGM2IMPDH1TAS1R3 | |
| E626 SCHEMBL15670935 | 0.90 | NT5E (0.59) | NT5EIMPDH2TGM2IMPDH1TAS1R3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2914131-A1 | FLAVOUR ADDITIVES | Mars, Incorporated (US) | 2015-09-09 | — | — | EP | disclosed |
| WO-2014068044-A1 | FLAVOUR ADDITIVES | MARS, INCORPORATED (US) | 2014-05-08 | — | — | WO | disclosed |