Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14493754 | 0.76 | AAK1 (0.54) | AAK1LMNAKMT2APOLBSLC6A2 | |
| SCHEMBL28614576 | 0.76 | AAK1 (0.45) | AAK1LMNANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL24982012 | 0.74 | AAK1 (0.40) | AAK1KMT2AMEN1NPC1ALDH1A1 | |
| SCHEMBL26693677 | 0.73 | KMT2A (0.41) | AAK1LMNAKMT2AMEN1NPC1 | |
| SCHEMBL16116863 | 0.73 | AAK1 (0.76) | AAK1LMNAKMT2APOLBSLC6A2 | |
| SCHEMBL20786122 | 0.70 | AAK1 (0.47) | AAK1LMNAKMT2APOLBSLC6A2 | |
| SCHEMBL29154278 | 0.70 | LMNA (0.40) | AAK1LMNAKMT2APOLBALDH1A1 | |
| SCHEMBL9667964 | 0.69 | AAK1 (0.53) | AAK1LMNAPRSS1CTSGCTRB1 | |
| SCHEMBL24982015 | 0.68 | ALDH1A1 (0.40) | AAK1KMT2APOLBMEN1ALDH1A1 | |
| SCHEMBL8199100 | 0.67 | AAK1 (0.50) | AAK1LMNAKMT2APOLBMEN1 |
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-115996923-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2023-04-21 | — | — | CN | disclosed |