Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 19/20 | 0.58 |
| ▸ | TLR2 | O60603 | 1/20 | 0.54 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.54 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1001765 | 0.86 | ERN1 (0.55) | ERN1TLR2TLR1TLR6 | |
| SCHEMBL29708011 | 0.86 | ERN1 (0.55) | ERN1TLR2TLR1TLR6 | |
| SCHEMBL31346762 | 0.81 | MCL1 (0.58) | ERN1TLR2TLR1TLR6 | |
| SCHEMBL13894553 | 0.81 | ALDH1A1 (0.50) | ERN1TLR2TLR1TLR6 | |
| SCHEMBL5950414 | 0.81 | ALDH1A1 (0.50) | ERN1TLR2TLR1TLR6 | |
| SCHEMBL1506977 | 0.81 | MCL1 (0.58) | ERN1TLR2TLR1TLR6 | |
| SCHEMBL25254136 | 0.79 | PRKDC (0.53) | ERN1TLR2TLR1TLR6 | |
| SCHEMBL14051494 | 0.78 | IDO1 (0.51) | ERN1 | |
| SCHEMBL7190069 | 0.77 | PADI4 (0.52) | ERN1 | |
| SCHEMBL9627412 | 0.77 | EP300 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113801087-B | Benzo-six-membered ring derivatives as DPP-4 inhibitors and uses thereof | 山东百极地长制药有限公司 | 2024-08-30 | — | — | CN | disclosed |
| CN-113801088-B | Benzo six-membered ring derivative and application thereof | 山东百极地长制药有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-113801087-A | Benzo-hexatomic ring derivative as DPP-4 inhibitor and application thereof | 山东百极地长制药有限公司 | 2021-12-17 | — | — | CN | disclosed |
| CN-113801088-A | Benzo-six-membered ring derivative and application thereof | 山东百极地长制药有限公司 | 2021-12-17 | — | — | CN | disclosed |
| WO-2021249566-A1 | BENZO SIX-MEMBERED RING DERIVATIVE AND USE THEREOF | 山东百极地长制药有限公司 | 2021-12-16 | — | — | WO | disclosed |