Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2834497 | 0.81 | CFD (0.43) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL27831788 | 0.81 | CFD (0.43) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL3465862 | 0.78 | — | — | |
| SCHEMBL12261602 | 0.78 | — | — | |
| SCHEMBL1888261 | 0.78 | — | — | |
| SCHEMBL6278080 | 0.77 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL15476689 | 0.76 | ALOX5 (0.40) | SLC6A2SLC6A4SLC6A3ALOX5CES2 | |
| Hydrochloric Acid SCHEMBL4472643 | 0.76 | ALOX5 (0.40) | SLC6A2SLC6A4SLC6A3ALOX5CES2 | |
| SCHEMBL5796511 | 0.75 | — | — | |
| SCHEMBL4444118 | 0.74 | ALOX5 (0.42) | SLC6A2SLC6A4SLC6A3ALOX5LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268431-A1 | 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS | Wyeth (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001072711-A1 | 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS | WYETH (US) | 2001-10-04 | — | — | WO | disclosed |