Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 3/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2261387 | 0.78 | KCNH2 (0.50) | NPY5RCYP2C19KCNH2POLBCYP1A2 | |
| Formic Acid SCHEMBL30454802 | 0.78 | KCNH2 (0.39) | PDE10AKCNH2TDO2HSP90AA1LMNA | |
| SCHEMBL19826963 | 0.69 | DHFR (0.44) | — | |
| SCHEMBL30455036 | 0.68 | KCNH2 (0.43) | PDE10ACYP2C19CYP2C9KCNH2TDO2 | |
| SCHEMBL26260009 | 0.68 | CYP11B1 (0.57) | CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9 | |
| Formic Acid SCHEMBL30454871 | 0.68 | DCPS (0.52) | NPY5RKCNH2LMNACYP1A2 | |
| SCHEMBL15293092 | 0.67 | CYP1A2 (0.57) | CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL483673 | 0.67 | ATR (0.41) | DYRK1ACYP2A6CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL12170683 | 0.67 | KCNH2 (0.54) | NPY5RCYP3A4CYP2C19KCNH2LMNA | |
| SCHEMBL9260727 | 0.66 | ACHE (0.47) | ELANECYP2C19KCNH2POLBCYP1A2 |
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-116143708-A | Polysubstituted benzazepine heteroaryl derivative and application thereof | 四川汇宇制药股份有限公司 | 2023-05-23 | — | — | CN | disclosed |