Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | SCN3A | Q9NY46 | 5/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.44 |
| ▸ | SCN4A | P35499 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 7/20 | 0.40 |
| ▸ | HRH2 | P25021 | 4/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8297900 | 0.82 | DPP4 (0.44) | DPP4 | |
| SCHEMBL14370041 | 0.78 | SCN3A (0.52) | SCN3ASCN9ASCN5ASCN4ADRD2 | |
| SCHEMBL9872176 | 0.78 | SCN3A (0.52) | SCN3ASCN9ASCN5ASCN4ADRD2 | |
| SCHEMBL4869032 | 0.76 | DPP4 (0.78) | DPP4SCN3ASCN9ASCN4A | |
| SCHEMBL9872977 | 0.74 | KDM4E (0.59) | DPP4SCN3ASCN9ASCN5ASCN4A | |
| Water SCHEMBL9874791 | 0.74 | KDM4E (0.58) | DPP4SCN3ASCN9ASCN5ASCN4A | |
| Water SCHEMBL9874788 | 0.74 | KDM4E (0.58) | DPP4SCN3ASCN9ASCN5ASCN4A | |
| SCHEMBL4867798 | 0.73 | DPP4 (0.61) | DPP4SCN3ASCN9ASCN5ASCN4A | |
| SCHEMBL8296975 | 0.72 | TP53 (0.42) | — | |
| SCHEMBL4425041 | 0.70 | DRD2 (0.52) | SCN3ASCN9ASCN5ASCN4ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004112701-A2 | CYCLOHEXYLGLYCINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-12-29 | — | — | WO | disclosed |