Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5747510 | 0.96 | HRH3 (0.53) | CYP2D6CYP2C19TDP1HRH3HTR2A | |
| SCHEMBL5749436 | 0.94 | TDP1 (0.49) | CYP2D6CYP2C19TDP1HRH3HTR2A | |
| SCHEMBL5749114 | 0.92 | TDP1 (0.52) | CYP2D6CYP2C19TDP1HRH3HTR2A | |
| SCHEMBL5745919 | 0.91 | TDP1 (0.51) | CYP2D6CYP2C19TDP1HRH3HTR2A | |
| SCHEMBL5745434 | 0.86 | CYP2D6 (0.50) | CYP2D6CYP2C19TDP1HRH3HTR2A | |
| SCHEMBL5747032 | 0.83 | HTR1B (0.49) | HTR6L3MBTL1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5774116 | 0.82 | HRH3 (0.53) | CYP2D6CYP2C19TDP1HRH3HTR2A | |
| SCHEMBL5749144 | 0.81 | HTR1B (0.48) | HTR6L3MBTL1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL5750596 | 0.81 | HRH1 (0.53) | TDP1HTR6L3MBTL1ALDH1A1 | |
| SCHEMBL5747450 | 0.79 | HTR1B (0.52) | TDP1HTR6ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1711463-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2006-10-18 | — | — | EP | claimed |
| WO-2005077899-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2005-08-25 | — | — | WO | claimed |
| EP-1711463-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005077899-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2005-08-25 | — | — | WO | disclosed |