Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.52 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | GPR6 | P46095 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6102191 | 0.91 | HTR2C (0.52) | HTR2CHRH4DPP4DPP7HTR6 | |
| SCHEMBL7405998 | 0.89 | HTR2C (0.64) | HTR2CHRH4HTR6HRH3EPHX2 | |
| SCHEMBL3679652 | 0.79 | HTR2C (0.64) | HTR2CHRH4HTR6HRH3EPHX2 | |
| Trifluoroacetic Acid SCHEMBL30619102 | 0.78 | NCF1 (0.50) | HTR2CHRH4HTR6HRH3NCF1 | |
| Trifluoroacetic Acid SCHEMBL6112639 | 0.77 | DRD2 (0.65) | — | |
| Trifluoroacetic Acid SCHEMBL8563865 | 0.76 | HRH4 (0.47) | HTR2CHRH4HTR6HRH3EPHX2 | |
| SCHEMBL1727950 | 0.73 | SIRT2 (0.50) | GPR6 | |
| SCHEMBL3683092 | 0.73 | HTR2C (0.64) | HTR2CHRH4HTR6ADRB2NCF1 | |
| Trifluoroacetic Acid SCHEMBL17844957 | 0.73 | DPP4 (0.45) | DPP4DPP7GPR6 | |
| SCHEMBL27649157 | 0.73 | DPP4 (0.39) | HTR2CHRH4DPP4DPP7GPR6 |
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-2006090272-A1 | ISOQUINOLINE [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2006-08-31 | — | — | WO | disclosed |